(Z)-5-[(4S,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile
Compound with spectra: 1 NMR
![(Z)-5-[(4S,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile](/api/compound/6cQ8rKv8vVY.png?ph=true&h=300&w=458 "(Z)-5-[(4S,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-2-keto-4,6a-dimethyl-4a,5,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]isochromen-4-yl]pent-2-enenitrile")
| SpectraBase Compound ID | 6cQ8rKv8vVY |
|---|---|
| InChI | InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20-,21+,22-,23+,24+,26-,27+/m1/s1 |
| InChIKey | PIKMPFHAGPWQAM-NIPDPKGRSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C27H43NO2 |
| Exact Mass | 413.32938 g/mol |
| Enantiomer InChIKey | PIKMPFHAGPWQAM-IEFHETEJSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
XOFGVIPVOIPDNS-YAMLCEQMSA-N
Methyl B-Homo-5-oxo-5,6-oxy-3,4-dinor-2,3-secocholestan-2-oate
5,6-Secocholest-2-en-6-oic acid, 1-oxo-, methyl ester, (10.alpha.)-
5,6-Secocholestan-6-oic acid, 1-oxo-, ethyl ester, (10.alpha.)-
5,6-Seco-5-oxo-3,4-cholesten-6-oic acid
5-oxo-5,6-secocholest-3-en-6-oic acid
5,6-Secocholestan-6-oic acid, 1-oxo-, (10.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| Syntheses and Biological Activities of a Novel Group of Steroidal Derived Inhibitors for Human CDC25A Protein Phosphatase | Journal of Medicinal Chemistry | 2001 |