![(16Z)-16-[(1-ethyl-3-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/B3mdDd8wAkY/structure.png?h=300&w=458 "(16Z)-16-[(1-ethyl-3-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 | 8LJE5y0dOp0 |
|---|---|
| InChI | InChI=1S/C25H36N2O2/c1-4-27-12-9-18(26-27)13-16-14-22-20-6-5-17-15-19(28)7-10-24(17,2)21(20)8-11-25(22,3)23(16)29/h9,12-13,17,19-22,28H,4-8,10-11,14-15H2,1-3H3/b16-13- |
| InChIKey | CWICEVOQFOQFIA-SSZFMOIBSA-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 | B3mdDd8wAkY |
|---|---|
| Name | (16Z)-16-[(1-ethyl-3-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/c1-4-27-12-9-18(26-27)13-16-14-22-20-6-5-17-15-19(28)7-10-24(17,2)21(20)8-11-25(22,3)23(16)29/h9,12-13,17,19-22,28H,4-8,10-11,14-15H2,1-3H3/b16-13- |
| InChIKey | CWICEVOQFOQFIA-SSZFMOIBSA-N |
| Molecular Weight | 396.575 g/mol |
| SMILES | OC1CC2C(C3CCC4(C(C3CC2)C\C(C4=O)=C\c2n[n](CC)cc2)C)(CC1)C |
| SPLASH | splash10-03di-5932000000-6b9e372e26830b69dd3a |
| Synonyms | (16Z)-16-[(1-ethylpyrazol-3-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-3-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-3-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 | 1445039 |