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Steroids and sterols

Methyl diacetylchenodesoxycholate

Also known as Methyl 3,7-bis(acetyloxy)cholan-24-oate, Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3alpha,5beta,7beta)-, 3alpha,7alpha-Diacetoxy-5beta-cholan-24-oic acid methyl ester

CAS 56085-34-8Formula C29H46O6Molar mass 490.68 g/mol
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Methyl diacetylchenodesoxycholate chemical structure, C29H46O6, CAS 56085-34-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56085-34-8
Formula
C29H46O6
Molar mass
490.68 g/mol
HS code
291819
Category
Steroids and sterols

What is Methyl diacetylchenodesoxycholate?

Plain description, key identifiers and synonyms

Methyl diacetylchenodesoxycholate is a chemical substance with the molecular formula C29H46O6 and a molar mass of 490.68 g/mol. Its CAS registry number is 56085-34-8. The IUPAC name is methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
CAS number
56085-34-8 CAS number cross-checked
Molecular formula
C29H46O6
InChIKey
ZKHVKSAMEUAGEN-UHFFFAOYSA-N
InChI
InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3
SMILES (canonical and isomeric)
CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C

Synonyms

  • Methyl 3,7-bis(acetyloxy)cholan-24-oate
  • Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3alpha,5beta,7beta)-
  • 3alpha,7alpha-Diacetoxy-5beta-cholan-24-oic acid methyl ester
  • 3|A,7|A-Diacetoxy-5|A-cholan-24-oic acid methyl ester
  • Cholan-24-oic acid,7-bis(acetyloxy)-, methyl ester, (3alpha,7alpha)-

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
490.68 g/molcalc.
Exact mass
490.3294 Dacalc.
LogP (octanol/water)
5.71calc.
Topological polar surface area
78.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
10calc.
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)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

Methyl diacetylchenodesoxycholate suppliers

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Methyl diacetylchenodesoxycholate 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 Methyl diacetylchenodesoxycholate 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 Methyl diacetylchenodesoxycholate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl diacetylchenodesoxycholate, based on the data on this page

What is Methyl diacetylchenodesoxycholate?

Methyl diacetylchenodesoxycholate is a chemical substance with the molecular formula C29H46O6 and a molar mass of 490.68 g/mol. Its CAS registry number is 56085-34-8. The IUPAC name is methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.

What is the CAS number of Methyl diacetylchenodesoxycholate?

The CAS registry number of Methyl diacetylchenodesoxycholate is 56085-34-8.

What is the molecular formula and weight of Methyl diacetylchenodesoxycholate?

The molecular formula of Methyl diacetylchenodesoxycholate is C29H46O6 and its molar mass is 490.68 g/mol.

What is Methyl diacetylchenodesoxycholate used for?

Known uses and roles of Methyl diacetylchenodesoxycholate include cooling agents in flavors and fragrances.

Is Methyl diacetylchenodesoxycholate hazardous?

No GHS hazard classification for Methyl diacetylchenodesoxycholate 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 Methyl diacetylchenodesoxycholate?

Methyl diacetylchenodesoxycholate 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 Methyl diacetylchenodesoxycholate?

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

What is the price of Methyl diacetylchenodesoxycholate?

Suppliers quote Methyl diacetylchenodesoxycholate 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 Methyl diacetylchenodesoxycholate

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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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