![(16Z)-16-[(1-ethyl-4-pyrazolyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one](/api/spectrum/9rzHhOVBtf7/structure.png?h=300&w=458 "(16Z)-16-[(1-ethyl-4-pyrazolyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one")
| SpectraBase Compound ID | AhZlU6PkIUq |
|---|---|
| InChI | InChI=1S/C25H36N2O2/c1-4-27-15-16(14-26-27)11-17-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(17)29/h11,14-15,18-22,28H,4-10,12-13H2,1-3H3/b17-11- |
| InChIKey | LNURYWGKYJSNOL-BOPFTXTBSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C25H36N2O2 |
| Exact Mass | 396.277678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rzHhOVBtf7 |
|---|---|
| Name | (16Z)-16-[(1-ethyl-4-pyrazolyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36N2O2 |
| InChI | InChI=1S/C25H36N2O2/c1-4-27-15-16(14-26-27)11-17-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(17)29/h11,14-15,18-22,28H,4-10,12-13H2,1-3H3/b17-11- |
| InChIKey | LNURYWGKYJSNOL-BOPFTXTBSA-N |
| Molecular Weight | 396.575 g/mol |
| SMILES | OC1CCC2(C3C(CCC2C1)C1C(C(\C(C1)=C/c1cn[n](c1)CC)=O)(C)CC3)C |
| SPLASH | splash10-053u-9811000000-cebf2125d12853b9f1ef |
| Synonyms | (16Z)-16-[(1-ethylpyrazol-4-yl)methylene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (16Z)-16-[(1-ethylpyrazol-4-yl)methylidene]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (16Z)-16-[(1-ethylpyrazol-4-yl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one |
| Wiley ID | 1510957 |