| SpectraBase Spectrum ID |
71MPP3pK144 |
| Name |
(10R)-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-VOORMFGMSA-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-0945000000-5da94d4f8a4b6e32e0e4 |
| Source of Spectrum |
F2-44-844-9 |
| Synonyms |
(2E)-5-{(4R,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 |
1639148 |
