| SpectraBase Spectrum ID |
JctiS5MVHZC |
| Name |
(16Z)-16-[(2-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 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.277678405 u |
| Formula |
C25H36N2O2 |
| InChI |
InChI=1S/C25H36N2O2/c1-4-27-18(9-12-26-27)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 |
ZZCLFVCHZVPTRZ-SSZFMOIBSA-N |
| Molecular Weight |
396.575 g/mol |
| SMILES |
C12(C(C3CCC4C(C3CC2)(CCC(C4)O)C)C\C(C1=O)=C\C=1N(N=CC1)CC)C |
![(16Z)-16-[(2-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/JctiS5MVHZC/structure.png?h=300&w=458 "(16Z)-16-[(2-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")
