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Screening compounds

Orb1991718

Formula C30H50O3Molar mass 458.73 g/mol
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Orb1991718 chemical structure, C30H50O3
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C30H50O3
Molar mass
458.73 g/mol
HS code
291819
Category
Screening compounds

What is Orb1991718?

Plain description, key identifiers and synonyms

Orb1991718 is a chemical substance with the molecular formula C30H50O3 and a molar mass of 458.73 g/mol. The IUPAC name is 3-[(3S,3aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(3S,3aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular formula
C30H50O3
InChIKey
SITSHJMXTJRDSK-DHZCZRAASA-N
InChI
InChI=1S/C30H50O3/c1-20(2)10-9-16-30(8,33)24-14-18-28(6)23(24)11-12-25-27(5,17-15-26(31)32)22(21(3)4)13-19-29(25,28)7/h10,22-25,33H,3,9,11-19H2,1-2,4-8H3,(H,31,32)/t22-,23+,24-,25?,27-,28+,29+,30-/m0/s1
Canonical SMILES
C=C(C)C1CCC2(C)C(CCC3C(C(C)(O)CCC=C(C)C)CCC32C)C1(C)CCC(=O)O
Isomeric SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CCC3[C@]2(CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)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
458.73 g/molcalc.
Exact mass
458.376 Dacalc.
LogP (octanol/water)
7.79calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
8calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2C(C1)CCC1CCCC12

C1CCC2C(C1)CCC1CCCC12

3 rings, 13 atoms.

17 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.

Orb1991718 suppliers

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Orb1991718 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Orb1991718 is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1991718 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1991718, based on the data on this page

What is Orb1991718?

Orb1991718 is a chemical substance with the molecular formula C30H50O3 and a molar mass of 458.73 g/mol. The IUPAC name is 3-[(3S,3aR,6S,7S,9aR,9bR)-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid.

What is the molecular formula and weight of Orb1991718?

The molecular formula of Orb1991718 is C30H50O3 and its molar mass is 458.73 g/mol.

What is Orb1991718 used for?

Known uses and roles of Orb1991718 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1991718 hazardous?

No GHS hazard classification for Orb1991718 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 Orb1991718?

Orb1991718 is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1991718?

Post a free request on CompoundList and suppliers of Orb1991718 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1991718?

Suppliers quote Orb1991718 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orb1991718

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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