| SpectraBase Spectrum ID |
C7HWyVhIQA6 |
| Name |
20-Carbonitrile-3.beta.-hydroxypregna-5,17(20)-diene |
| Alternate Name(s) |
2-[(2R,5S,14Z)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-ylidene]propanenitrile |
| CAS Registry Number |
58449-02-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H31NO |
| InChI |
InChI=1S/C22H31NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,16-17,19-20,24H,5-12H2,1-3H3/b18-14-/t16-,17?,19?,20?,21-,22?/m0/s1 |
| InChIKey |
OYTKJFIHSMDJNS-BRPAIAFLSA-N |
| Molecular Weight |
325.496 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C3CCC4(\C(=C/(C#N)C)CCC4C3CC=C2C1)C)C)[H] |
| SPLASH |
splash10-0bt9-0498000000-499be2dfed9de8ff6092 |
| Source of Spectrum |
J-41-1874-0 |
| Wiley ID |
1324240 |
