5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER

Modify Date: 2026-07-17 19:09:10

5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER Structure
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER structure
 Common Name 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER
CAS Number 27240-83-1 Molecular Weight 448.63500
Density 1.1g/cm3 Boiling Point 518.9ºC at 760 mmHg
Molecular Formula C27H44O5 Melting Point N/A
MSDS USA Flash Point 161ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.1g/cm3
Boiling Point 518.9ºC at 760 mmHg
Molecular Formula C27H44O5
Molecular Weight 448.63500
Flash Point 161ºC
Exact Mass 448.31900
PSA 72.83000
LogP 5.13710
Vapour Pressure 6.19E-13mmHg at 25°C
Index of Refraction 1.525
InChIKey FVYCOKNQUSFTBH-RFTNVYQZSA-N
SMILES COC(=O)CCC(C)C1CCC2C3CCC4CC(OC(C)=O)CCC4(C)C3CC(O)C12C
Storage condition 2-8°C

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
WGK Germany 3

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  0

DownStream  1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-acetyl methyldeoxycholate
Methyl 3alpha-acetoxy-12alpha-hydroxycholanate
5beta-Cholanic acid-3alpha,12alpha-diol 3-acetate methyl ester
3|A,12|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester
methyl deoxycholate-3'-acetate
5|A-Cholanic acid-3|A,12|A-diol 3-acetate methyl ester
3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester
Methyl 3|A-acetoxy-12|A-hydroxycholanate

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: Molecular formula of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is C27H44O5.
Q: What is the SMILES notation of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: SMILES notation of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is COC(=O)CCC(C)C1CCC2C3CCC4CC(OC(C)=O)CCC4(C)C3CC(O)C12C.
Q: What is the InChIKey of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: InChIKey of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is FVYCOKNQUSFTBH-RFTNVYQZSA-N.
Q: What is the boiling point of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: Boiling point of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is 518.9ºC at 760 mmHg.
Q: What is the English name of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: The English name of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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.
Q: What is the polar surface area (PSA) of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: Polar surface area (PSA) of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is 72.83000.
Q: What are the storage conditions for methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: Storage conditions for methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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: 2-8°C.
Q: What is the CAS number of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: CAS number of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is 27240-83-1.
Q: What is the molecular weight of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: Molecular weight of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is 448.63500.
Q: What is the LogP of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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?
A: LogP of methyl (4R)-4-[(3R,12S)-3-acetyloxy-12-hydroxy-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 is 5.13710.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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