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Steroids and sterols

Orb2663467

CAS 220095-97-6Formula C45H74O19Molar mass 919.07 g/mol
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Orb2663467 chemical structure, C45H74O19, CAS 220095-97-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
220095-97-6
Formula
C45H74O19
Molar mass
919.07 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb2663467?

Plain description, key identifiers and synonyms

Orb2663467 is a chemical substance with the molecular formula C45H74O19 and a molar mass of 919.07 g/mol. Its CAS registry number is 220095-97-6. The IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,15S,16R,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
220095-97-6
Molecular formula
C45H74O19
InChIKey
QEJIXVVELVKWFA-LAOVWTQCSA-N
InChI
InChI=1S/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20+,21+,22-,23-,24-,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1
Canonical SMILES
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12
Isomeric SMILES
CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)CC[C@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

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
919.07 g/molcalc.
Exact mass
918.4824 Dacalc.
LogP (octanol/water)
-1.86calc.
Topological polar surface area
307.4 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
13calc.
Heavy atoms
64calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
26calc.
Lipinski rule of five
Fails (3 violations)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, C1=C(CCCCOC2CCCCO2)OC2CC3C(CCC4C5CCC(OC6OCCCC6OC6CCCCO6)CC5CCC43)C12

C1=C(CCCCOC2CCCCO2)OC2CC3C(CCC4C5CCC(OC6OCCCC6OC6CCCCO6)CC5CCC43)C12

8 rings, 45 atoms.

5 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.

Orb2663467 suppliers

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Orb2663467 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb2663467 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2663467 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2663467, based on the data on this page

What is Orb2663467?

Orb2663467 is a chemical substance with the molecular formula C45H74O19 and a molar mass of 919.07 g/mol. Its CAS registry number is 220095-97-6.

What is the CAS number of Orb2663467?

The CAS registry number of Orb2663467 is 220095-97-6.

What is the molecular formula and weight of Orb2663467?

The molecular formula of Orb2663467 is C45H74O19 and its molar mass is 919.07 g/mol.

Is Orb2663467 hazardous?

No GHS hazard classification for Orb2663467 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 Orb2663467?

Orb2663467 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2663467?

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What is the price of Orb2663467?

Suppliers quote Orb2663467 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 Orb2663467

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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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