Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI)

Modify Date: 2026-08-05 23:32:34

Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) Structure
Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) structure
Common Name Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI)
CAS Number 2724-68-7 Molecular Weight 372.49800
Density 1.14g/cm3 Boiling Point 490.5ºC at 760mmHg
Molecular Formula C23H32O4 Melting Point N/A
MSDS N/A Flash Point 211.7ºC

 Names

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

Name [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
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 1.14g/cm3
Boiling Point 490.5ºC at 760mmHg
Molecular Formula C23H32O4
Molecular Weight 372.49800
Flash Point 211.7ºC
Exact Mass 372.23000
PSA 60.44000
LogP 4.26510
Vapour Pressure 9.09E-10mmHg at 25°C
Index of Refraction 1.54
InChIKey JAZBMNIJZWDVQJ-BLDHYFSKSA-N
SMILES CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C32)C1

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~%

Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) Structure

Pregn-16-ene-11...

CAS#:2724-68-7

Learn More
Literature: Bowers,A. et al. Journal of the American Chemical Society, 1960 , vol. 82, p. 4001 - 4007

~%

Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) Structure

Pregn-16-ene-11...

CAS#:2724-68-7

Learn More
Literature: Djerassi et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 3634 Full Text View citing articles Show Details Cameron et al. Journal of the Chemical Society, 1955 , p. 2807,2811

~%

Detail Learn More
Literature: Cameron et al. Journal of the Chemical Society, 1955 , p. 2807,2811

 Precursor & DownStream

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

Precursor  5

DownStream  2

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Total 2, Current Page 1 of 1
1

 Synonyms

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

3beta-hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetate

  | 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 [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: Molecular formula of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is C23H32O4.
Q: What English synonyms does [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate have?
A: English synonyms of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate: 3beta-hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetate.
Q: What is the SMILES notation of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: SMILES notation of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C32)C1.
Q: What is the CAS number of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: CAS number of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is 2724-68-7.
Q: What is the Chinese name of 2724-68-7?
A: Chinese name of 2724-68-7 is 2724-68-7.
Q: What is the molecular weight of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: Molecular weight of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is 372.49800.
Q: What is the LogP of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: LogP of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is 4.26510.
Q: What is the InChIKey of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: InChIKey of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is JAZBMNIJZWDVQJ-BLDHYFSKSA-N.
Q: What is the boiling point of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: Boiling point of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is 490.5ºC at 760mmHg.
Q: What is the English name of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate?
A: The English name of [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.

 factory

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

Dayang Chem (Hangzhou) Co., Ltd.
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.