SpectraBase Spectrum ID |
8RfGbAiPIi5 |
Name |
3.beta.-Hydroxy-5.alpha.-pregn-17(20)-carbonitrile Acetate |
CAS Registry Number |
31056-35-6 |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C24H35NO2 |
InChI |
InChI=1S/C24H35NO2/c1-15(14-25)20-7-8-21-19-6-5-17-13-18(27-16(2)26)9-11-23(17,3)22(19)10-12-24(20,21)4/h17-19,21-22H,5-13H2,1-4H3/b20-15-/t17-,18-,19?,21?,22?,23-,24+/m0/s1 |
InChIKey |
CHGMIZNLYTVNPI-FKLXSKCXSA-N |
Molecular Weight |
369.549 g/mol |
SMILES |
[C@@]12(\C(=C/(C#N)C)CCC2C2CC[C@@]3([C@@](C2CC1)(CC[C@](OC(=O)C)(C3)[H])C)[H])C |
SPLASH |
splash10-066r-0049000000-6b758f5bec40a5981ea7 |
Source of Spectrum |
J-44-707-0 |
Synonyms |
(2S,5S,7S,14Z,15S)-14-(1-cyanoethylidene)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate |
Wiley ID |
1353832 |