[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
![[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate Structure](https://image.chemsrc.com/caspic/273/3571-53-7.png)
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate structure
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Common Name | [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate | ||
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| CAS Number | 3571-53-7 | Molecular Weight | 440.65800 | |
| Density | 1.07 g/cm3 | Boiling Point | 554.9ºC at 760 mmHg | |
| Molecular Formula | C29H44O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 208.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate |
|---|---|
| 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 | 1.07 g/cm3 |
|---|---|
| Boiling Point | 554.9ºC at 760 mmHg |
| Molecular Formula | C29H44O3 |
| Molecular Weight | 440.65800 |
| Flash Point | 208.7ºC |
| Exact Mass | 440.32900 |
| PSA | 46.53000 |
| LogP | 7.69090 |
| Index of Refraction | 1.547 |
| InChIKey | TXHUMRBWIWWBGW-GVGNIZHQSA-N |
| SMILES | CCCCCCCCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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[(8R,9S,13S,14S... CAS#:3571-53-7 |
| Literature: Annales Pharmaceutiques Francaises, , vol. 16, p. 757,760, 762 |
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~%
[(8R,9S,13S,14S... CAS#:3571-53-7 |
| Literature: Annales Pharmaceutiques Francaises, , vol. 16, p. 757,760, 762 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697799
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Name: FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697800
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Name: FDA HLAED, lactate dehydrogenase (LDH) increase
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697801
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Name: FDA HLAED, gamma-glutamyl transferase (GGT) increase
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697802
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Name: Literature-mined public compounds from Kruhlak et al phospholipidosis modelling datas...
Source: ChEMBL
Target: Phospholipidosis
External Id: CHEMBL1697855
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Name: FDA HLAED, liver enzyme composite activity
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697797
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Name: FDA HLAED, alkaline phosphatase increase
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697798
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| estradiol undecanoate |
| ESTRADIOL UNDECYLATE |
| Estradiolo undecilato |
| Delestrec (TN) |
| Undecilato de estradiol |
| estradiol 17-undecylate |
| Estradioli undecylas |
| Undecylate d'estradiol |
| Primogyn Depot |
| Oestradioli undecylas |
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,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate have? |
| A: English synonyms of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate: estradiol undecanoate, ESTRADIOL UNDECYLATE, Estradiolo undecilato, Delestrec (TN), Undecilato de estradiol, estradiol 17-undecylate, Estradioli undecylas, Undecylate d'estradiol, Primogyn Depot, Oestradioli undecylas. |
| Q: What is the polar surface area (PSA) of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: Polar surface area (PSA) of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is 46.53000. |
| Q: What is the boiling point of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: Boiling point of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is 554.9ºC at 760 mmHg. |
| Q: What is the molecular formula of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: Molecular formula of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is C29H44O3. |
| Q: What is the InChIKey of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: InChIKey of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is TXHUMRBWIWWBGW-GVGNIZHQSA-N. |
| Q: What is the LogP of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: LogP of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is 7.69090. |
| Q: What is the SMILES notation of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: SMILES notation of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is CCCCCCCCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C. |
| Q: What is the CAS number of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: CAS number of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is 3571-53-7. |
| Q: What is the molecular weight of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: Molecular weight of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate is 440.65800. |
| Q: What are the upstream materials of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate? |
| A: Related upstream materials(CAS) of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate: 1263-57-6;50-28-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |