| SpectraBase Spectrum ID |
J0otr2MaK9L |
| Name |
3.beta.-Hydroxy-5,6-seco-5-oxocholestane-6-nitrile |
| Alternate Name(s) |
{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-5-[(1R,4S)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyloctahydro-1H-inden-4-yl}acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO2 |
| InChI |
InChI=1S/C27H45NO2/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h18-24,29H,6-15,17H2,1-5H3/t19-,20+,21?,22-,23+,24?,26-,27-/m1/s1 |
| InChIKey |
KDCOXHSPDPKULG-MIBMTKPLSA-N |
| Molecular Weight |
415.662 g/mol |
| SMILES |
O[C@]1(CC[C@](C2CC[C@]3([C@](C2CC#N)(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)(C(C1)=O)C)[H] |
| SPLASH |
splash10-0006-0109000000-2cb3c02a678071b91c5c |
| Source of Spectrum |
F-69-8442-28 |
| Wiley ID |
1595859 |
