| SpectraBase Spectrum ID |
rApZxllzIr |
| Name |
3-.beta.-Hydroxypregna-1,5-diene-20-carbonitrile |
| Alternate Name(s) |
2-[(1S,2R,5R,10S,11S,14R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,7-dien-14-yl]propanenitrile |
| 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/h4,8,10,14,16-20,24H,5-7,9,11-12H2,1-3H3/t14?,16-,17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey |
HKHYAVZHOCGVEF-GAJWHHLVSA-N |
| Molecular Weight |
325.496 g/mol |
| SMILES |
O[C@]1(C=C[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@](C(C)C#N)([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H] |
| SPLASH |
splash10-03fr-0009000000-629c107603387bdedc71 |
| Source of Spectrum |
U-1994-1031-15 |
| Wiley ID |
766160 |
