Orb2893555 (CAS 103847-13-8): price, suppliers and safety

What is Orb2893555?

Plain description, key identifiers and synonyms

[(1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] 2-methylpropanoate has been reported in Aconitum coreanum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: [(1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] 2-methylpropanoate
CAS number: 103847-13-8
Molecular formula: C₂₄H₃₃NO₅
InChIKey: BKHLAQWOXOLRLR-NBNRPSMLSA-N
InChI: InChI=1S/C24H33NO5/c1-10(2)19(28)30-12-6-21(4)9-25-13-8-22-5-11(3)14-15(26)17(22)23(7-12,16(13)21)20(25)24(22,29)18(14)27/h10,12-18,20,26-27,29H,3,5-9H2,1-2,4H3/t12-,13-,14+,15+,16+,17+,18-,20-,21-,22+,23-,24-/m0/s1
Canonical SMILES: C=C1CC23CC4C5C6(C)CC(OC(=O)C(C)C)CC57C2C(O)C1C(O)C3(O)C7N4C6
Isomeric SMILES: CC(C)C(=O)O[C@H]1C[C@]2(CN3[C@@H]4[C@H]2[C@]5(C1)[C@H]3[C@]6([C@H]([C@H]7[C@H]([C@@H]5[C@]6(C4)CC7=C)O)O)O)C

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	415.53 g/molcalc.
Exact mass	415.2359 Dacalc.
LogP (octanol/water)	1.09calc.
Topological polar surface area	90.23 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	2calc.
Heavy atoms	30calc.
Rings	9calc.
Aromatic rings	0calc.
Fraction sp3 carbons	0.88calc.
Formal charge	0calc.
Stereocentres	13calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

C=C1CC23CC4C5C6CCCC57C(C2CC1CC37)N4C6

9 rings, 20 atoms.

36 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orb2893555 suppliers

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Orb2893555 price

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb2893555 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024

$12.1B

−31.0% vs 2023, imports $28.8B

2019 to 2024

Top exporters

China30.5%
India * partner reported16.3%
Ireland9.0%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb2893555 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

(2alpha,11alpha,13S)-Hetisan-2,11,13,14-tetrol 2-(2-methylpropanoate) chemical structure, C24H33NO5

(2alpha,11alpha,13S)-Hetisan-2,11,13,14-tetrol 2-(2-methylpropanoate)C₂₄H₃₃NO₅

(2|A,11|A,13S)-Hetisan-2,11,13,14-tetrol 2-(2-methylpropanoate) chemical structure, C24H33NO5

(2|A,11|A,13S)-Hetisan-2,11,13,14-tetrol 2-(2-methylpropanoate)C₂₄H₃₃NO₅

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Guanfu base Y chemical structure, C22H29NO5, CAS 110225-59-7

81% similar

Guanfu base Y110225-59-7C₂₂H₂₉NO₅

11,14-Dihydroxyhetisan-2,13-diyl diacetate chemical structure, C24H31NO6

(10-Acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) acetate chemical structure, C24H31NO6

Guan-fu base A chemical structure, C24H31NO6, CAS 1394-48-5

73% similar

Guan-fu base A1394-48-5C₂₄H₃₁NO₆

Guanfu base A chemical structure, C24H31NO6

73% similar

Guanfu base AC₂₄H₃₁NO₆

Acehytisine chemical structure, C24H31NO6

73% similar

AcehytisineC₂₄H₃₁NO₆

73% similar

Guanfu base AC₂₄H₃₁NO₆

[(3S,5R,9R,11S,17R,19S)-10-Acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate chemical structure, C24H31NO6

73% similar

Guan-fu base AC₂₄H₃₁NO₆

Guan-fu base A hydrochloride(1394-48-5 free base) chemical structure, C24H32ClNO6, CAS 618094-85-2

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-[2-(3,4-Diethoxyphenyl)acetyl]-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one chemical structure, C24H33NO5, CAS 696658-47-6

2-[2-(3,4-Diethoxyphenyl)acetyl]-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one696658-47-6C₂₄H₃₃NO₅

N-(2-(3,4-Diethoxyphenyl)ethyl)-2-(3,4-diethoxyphenyl)acetamide chemical structure, C24H33NO5, CAS 6298-46-0

N-(2-(3,4-Diethoxyphenyl)ethyl)-2-(3,4-diethoxyphenyl)acetamide6298-46-0C₂₄H₃₃NO₅1 supplier

AH 19437 chemical structure, C24H33NO5, CAS 74480-27-6

AH 1943774480-27-6C₂₄H₃₃NO₅

Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) chemical structure, C24H33NO5, CAS 67293-34-9

Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)67293-34-9C₂₄H₃₃NO₅

Mebeverine EP impurity H chemical structure, C24H33NO5, CAS 2514745-46-9

Mebeverine EP impurity H2514745-46-9C₂₄H₃₃NO₅

(4E)-N-Cycloheptyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide chemical structure, C24H33NO5, CAS 1282458-00-7

(4E)-N-Cycloheptyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide1282458-00-7C₂₄H₃₃NO₅

Benzenepropanol, alpha-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-4-hydroxy- chemical structure, C24H33NO5, CAS 88770-62-1

Benzenepropanol, alpha-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-4-hydroxy-88770-62-1C₂₄H₃₃NO₅

Benzenepropanol, alpha-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-3-hydroxy- chemical structure, C24H33NO5, CAS 88770-61-0

Benzenepropanol, alpha-(3,6-dimethoxy-2-(2-(1-piperidinyl)ethoxy)phenyl)-3-hydroxy-88770-61-0C₂₄H₃₃NO₅

(S)-tert-Butyl 3-((R)-2-(pent-4-enoyloxy)-2-phenylethylcarbamoyl)hex-5-enoate chemical structure, C24H33NO5, CAS 1192277-12-5

(S)-tert-Butyl 3-((R)-2-(pent-4-enoyloxy)-2-phenylethylcarbamoyl)hex-5-enoate1192277-12-5C₂₄H₃₃NO₅

11,17-Dihydroxy-10,13-dimethyl-17-(3-methyl-1,3-oxazolidine-2-carbonyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one chemical structure, C24H33NO5, CAS 34898-28-7

11,17-Dihydroxy-10,13-dimethyl-17-(3-methyl-1,3-oxazolidine-2-carbonyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one34898-28-7C₂₄H₃₃NO₅

Ethanone, 2-(dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate, hydrate (2:2:1) chemical structure, C24H33NO5, CAS 67367-67-3

Ethanone, 2-(dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, (Z)-2-butenedioate, hydrate (2:2:1)67367-67-3C₂₄H₃₃NO₅

(R)-tert-Butyl 4-((S)-4-benzyl-2-oxooxazolidin-3-yl)-3-(cyclopentylmethyl)-4-oxobutanoate chemical structure, C24H33NO5, CAS 223433-51-0

(R)-tert-Butyl 4-((S)-4-benzyl-2-oxooxazolidin-3-yl)-3-(cyclopentylmethyl)-4-oxobutanoate223433-51-0C₂₄H₃₃NO₅

Frequently asked questions

Quick answers about Orb2893555, based on the data on this page

What is Orb2893555?

[(1S,3S,5R,8S,9R,10S,11R,14R,16S,17R,18S,19S)-9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] 2-methylpropanoate has been reported in Aconitum coreanum.

What is the CAS number of Orb2893555?

The CAS registry number of Orb2893555 is 103847-13-8.

What is the molecular formula and weight of Orb2893555?

The molecular formula of Orb2893555 is C24H33NO5 and its molar mass is 415.53 g/mol.

What is Orb2893555 used for?

Known uses and roles of Orb2893555 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2893555 hazardous?

No GHS hazard classification for Orb2893555 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb2893555?

Orb2893555 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2893555?

Post a free request on CompoundList and suppliers of Orb2893555 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2893555?

Suppliers quote Orb2893555 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Orb2893555

Key facts

What is Orb2893555?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb2893555 suppliers

Orb2893555 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Orb2893555?

What is the CAS number of Orb2893555?

What is the molecular formula and weight of Orb2893555?

What is Orb2893555 used for?

Is Orb2893555 hazardous?

What is the HS code of Orb2893555?

Where can I buy Orb2893555?

What is the price of Orb2893555?

Guides for buyers

Get quotes for Orb2893555

Key facts

What is Orb2893555?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb2893555 suppliers

Orb2893555 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Orb2893555?

What is the CAS number of Orb2893555?

What is the molecular formula and weight of Orb2893555?

What is Orb2893555 used for?

Is Orb2893555 hazardous?

What is the HS code of Orb2893555?

Where can I buy Orb2893555?

What is the price of Orb2893555?

Guides for buyers

Get quotes for Orb2893555