| SpectraBase Spectrum ID |
KSwPanrxZXn |
| Name |
3-.beta.-Acetoxy-21,21-dichloro-20.xi.-24-nor-chol-5-en-23-oic acid nitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35Cl2NO2 |
| InChI |
InChI=1S/C25H35Cl2NO2/c1-15(29)30-17-8-11-24(2)16(14-17)4-5-18-20-6-7-21(19(10-13-28)23(26)27)25(20,3)12-9-22(18)24/h4,17-23H,5-12,14H2,1-3H3/t17-,18-,19+,20-,21+,22-,24-,25-/m0/s1 |
| InChIKey |
WBXRKKJBBZMGAR-KZLYBJNGSA-N |
| Molecular Weight |
452.466 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@](C(Cl)Cl)(CC#N)[H])[H])[H])C |
| SPLASH |
splash10-0006-0219000000-8bedd4af514206b58a1f |
| Source of Spectrum |
F-62-1075-11 |
| Synonyms |
3.beta.-Acetoxy-21,21-dichloro-20.xi.,24-nor-chol-5-en-23-oic acid nitrile |
| Wiley ID |
1632027 |
