Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) structure
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Common Name | Pregn-16-ene-11,20-dione,3-(acetyloxy)-, (3b,5a)- (9CI) | ||
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| 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 | |
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 |
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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Pregn-16-ene-11... CAS#:2724-68-7 |
| Literature: Bowers,A. et al. Journal of the American Chemical Society, 1960 , vol. 82, p. 4001 - 4007 |
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Pregn-16-ene-11... CAS#:2724-68-7 |
| 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 |
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| Literature: Cameron et al. Journal of the Chemical Society, 1955 , p. 2807,2811 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 2 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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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 |
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. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |