| SpectraBase Spectrum ID |
GI4yruz5iCs |
| Name |
(10S)-4,5-Seco-4-cyano-5-oxa-3-cholesten-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43NO2 |
| 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-XWXIOYARSA-N |
| Molecular Weight |
413.646 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(=O)O[C@]([C@]3(CC2)[H])(CC\C=C\C#N)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000i-0928500000-03650ad2873f6998e2d9 |
| Source of Spectrum |
F2-44-844-8 |
| Synonyms |
(2E)-5-{(4S,4aS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-4,6a-dimethyl-2-oxododecahydroindeno[5,4-c]pyran-4-yl}-2-pentenenitrile |
| Wiley ID |
1639149 |
