![1H-Cyclopenta[a]phenanthren-3-one, 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]tetradecahydro-17-hydroxy-10,13-dimethyl-](/api/spectrum/5IvvN8ZT5E/structure.png?h=300&w=458 "1H-Cyclopenta[a]phenanthren-3-one, 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]tetradecahydro-17-hydroxy-10,13-dimethyl-")
| SpectraBase Compound ID | 5Dq1HCyYqNC |
|---|---|
| InChI | InChI=1S/C25H36N2O2/c1-15-17(14-27(4)26-15)11-16-13-25(3)18(12-22(16)28)5-6-19-20-7-8-23(29)24(20,2)10-9-21(19)25/h11,14,18-21,23,29H,5-10,12-13H2,1-4H3/b16-11- |
| InChIKey | YRSVSKDJZCUHAF-WJDWOHSUSA-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 | 5IvvN8ZT5E |
|---|---|
| Name | 1H-Cyclopenta[a]phenanthren-3-one, 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]tetradecahydro-17-hydroxy-10,13-dimethyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36N2O2 |
| InChI | InChI=1S/C25H36N2O2/c1-15-17(14-27(4)26-15)11-16-13-25(3)18(12-22(16)28)5-6-19-20-7-8-23(29)24(20,2)10-9-21(19)25/h11,14,18-21,23,29H,5-10,12-13H2,1-4H3/b16-11- |
| InChIKey | YRSVSKDJZCUHAF-WJDWOHSUSA-N |
| Molecular Weight | 396.575 g/mol |
| SMILES | OC1C2(CCC3C(C2CC1)CCC1CC(\C(CC31C)=C/c1c[n](nc1C)C)=O)C |
| SPLASH | splash10-0a5l-6911000000-1f2e16a5075a21af85d8 |
| Source of Spectrum | IY-1-4696-4 |
| Synonyms | (2Z)-2-[(1,3-dimethyl-4-pyrazolyl)methylidene]-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (2Z)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (2Z)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| Wiley ID | 1654947 |