![16-(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one](/api/spectrum/HNNhpsvfyNS/structure.png?h=300&w=458 "16-(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one")
| SpectraBase Compound ID | L0B73w5bLVK |
|---|---|
| InChI | InChI=1S/C26H38N2O2/c1-5-28-15-18(16(2)27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h12,15,19-23,29H,5-11,13-14H2,1-4H3/b17-12+ |
| InChIKey | ZXGJYVCSCCHJLY-SFQUDFHCSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C26H38N2O2 |
| Exact Mass | 410.293328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HNNhpsvfyNS |
|---|---|
| Name | 16-(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H38N2O2 |
| InChI | InChI=1S/C26H38N2O2/c1-5-28-15-18(16(2)27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h12,15,19-23,29H,5-11,13-14H2,1-4H3/b17-12+ |
| InChIKey | ZXGJYVCSCCHJLY-SFQUDFHCSA-N |
| Molecular Weight | 410.602 g/mol |
| SMILES | OC1CCC2(C(CCC3C2CCC2(C3C\C(C2=O)=C/c2c[n](nc2C)CC)C)C1)C |
| SPLASH | splash10-0aba-5910000000-e75d82327c08e927531c |
| Synonyms | 16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-3-hydroxyandrostan-17-one (16E)-16-[(1-ethyl-3-methyl-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 (16E)-16-[(1-ethyl-3-methylpyrazol-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 (16E)-16-[(1-ethyl-3-methyl-pyrazol-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 |
| Wiley ID | 1442450 |