[(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate structure
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Common Name | [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate | ||
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| CAS Number | 123748-70-9 | Molecular Weight | 602.8 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C35H54O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C35H54O8 |
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| Molecular Weight | 602.8 |
| InChIKey | SEWNNXVVYUZUPK-PXHDJTSWSA-N |
| SMILES | CC(=O)OCC(C)CCC(OC(C)=O)C(C)C1C(OC(C)=O)CC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC21C |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity against human NFF cells after 6 days by SRB assay
Source: ChEMBL
Target: NFF
External Id: CHEMBL2092134
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Name: Cytotoxicity against human HeLa cells after 6 days by SRB assay
Source: ChEMBL
Target: HeLa
External Id: CHEMBL2092135
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Name: Cytotoxicity against human MM96L cells after 6 days by SRB assay
Source: ChEMBL
Target: MM96L
External Id: CHEMBL2092138
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Name: Cytotoxicity against human K562 cells after 6 days by SRB assay
Source: ChEMBL
Target: K562
External Id: CHEMBL2092139
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Name: Cytotoxicity against human HT-29 cells after 6 days by SRB assay
Source: ChEMBL
Target: HT-29
External Id: CHEMBL2092136
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Name: Cytotoxicity against human MCF7 cells after 6 days by SRB assay
Source: ChEMBL
Target: MCF7
External Id: CHEMBL2092137
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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 [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: Molecular formula of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is C35H54O8. |
| Q: What is the Chinese name of 123748-70-9? |
| A: Chinese name of 123748-70-9 is 123748-70-9. |
| Q: What is the molecular weight of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: Molecular weight of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is 602.8. |
| Q: What is the CAS number of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: CAS number of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is 123748-70-9. |
| Q: What is the SMILES notation of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: SMILES notation of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is CC(=O)OCC(C)CCC(OC(C)=O)C(C)C1C(OC(C)=O)CC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC21C. |
| Q: What is the English name of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: The English name of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate. |
| Q: What is the InChIKey of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate? |
| A: InChIKey of [(2R,5R,6S)-5-acetyloxy-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate is SEWNNXVVYUZUPK-PXHDJTSWSA-N. |