Estra-1,3,5(10)-trien-17-one
Modify Date: 2026-07-31 17:19:57
Estra-1,3,5(10)-trien-17-one structure
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Common Name | Estra-1,3,5(10)-trien-17-one | ||
|---|---|---|---|---|
| CAS Number | 53-45-2 | Molecular Weight | 254.36700 | |
| Density | 1.088g/cm3 | Boiling Point | 387ºC at 760mmHg | |
| Molecular Formula | C18H22O | Melting Point | 142-144 °C(Experimental) | |
| MSDS | N/A | Flash Point | 167.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
|---|---|
| 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 | 1.088g/cm3 |
|---|---|
| Boiling Point | 387ºC at 760mmHg |
| Melting Point | 142-144 °C(Experimental) |
| Molecular Formula | C18H22O |
| Molecular Weight | 254.36700 |
| Flash Point | 167.8ºC |
| Exact Mass | 254.16700 |
| PSA | 17.07000 |
| LogP | 4.11180 |
| Index of Refraction | 1.565 |
| InChIKey | LGHBWDKMGOIZKH-CBZIJGRNSA-N |
| SMILES | CC12CCC3c4ccccc4CCC3C1CCC2=O |
| Storage condition | 2-8°C |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressin...
Source: ChEMBL
Target: Cytochrome P450 1B1
External Id: CHEMBL3877873
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Name: Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase
Source: ChEMBL
Target: Sulfotransferase
External Id: CHEMBL681340
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Agrestin |
| Desoxyestrone |
| estra-1,3,5(10)-trien-17-one |
| 1,3,5(10)-estratrien-17-one |
| d-Estra-1,3,5(10)-trien-17-one |
| Deoxyestrone |
| 3-Deoxyestrone |
| 1,3,5(10)-Estratrien-17-one |
| 3-Deoxyoestrone |
| Estratrien-17-one |
| Estrone,3-deoxy |
| 3-Desoxyestrone |
| Adopron |
| Oestra-1,3,5(10)-trien-17-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one have? |
| A: English synonyms of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one: Agrestin, Desoxyestrone, estra-1,3,5(10)-trien-17-one, 1,3,5(10)-estratrien-17-one, d-Estra-1,3,5(10)-trien-17-one, Deoxyestrone, 3-Deoxyestrone, 1,3,5(10)-Estratrien-17-one, 3-Deoxyoestrone, Estratrien-17-one, Estrone,3-deoxy, 3-Desoxyestrone, Adopron, Oestra-1,3,5(10)-trien-17-one. |
| Q: What is the polar surface area (PSA) of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Polar surface area (PSA) of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 17.07000. |
| Q: What is the LogP of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: LogP of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 4.11180. |
| Q: What is the boiling point of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Boiling point of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 387ºC at 760mmHg. |
| Q: What is the molecular formula of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Molecular formula of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is C18H22O. |
| Q: What is the melting point of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Melting point of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 142-144 °C(Experimental). |
| Q: What is the molecular weight of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Molecular weight of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 254.36700. |
| Q: What are the storage conditions for (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: Storage conditions for (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one: 2-8°C. |
| Q: What is the CAS number of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: CAS number of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 53-45-2. |
| Q: What is the InChIKey of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one? |
| A: InChIKey of (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is LGHBWDKMGOIZKH-CBZIJGRNSA-N. |
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. |