| SpectraBase Spectrum ID |
9aRRcanlPCC |
| Name |
Pregna-5,17(20)-diene-20-carbonitrile, 3-(acetyloxy)-, (3.beta.)- |
| Alternate Name(s) |
(1S,2R,5S,10R,11S,14Z,15S)-14-(1-cyanoethylidene)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
3.beta.-hydroxypregna-5,17(20)-diene-20-carbonitrile acetate
Pregna-5,17(20)-diene-20-carbonitrile, 3.beta.-hydroxy-, acetate |
| CAS Registry Number |
68628-67-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33NO2 |
| InChI |
InChI=1S/C24H33NO2/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/h5,18-19,21-22H,6-13H2,1-4H3/b20-15-/t18-,19-,21-,22-,23-,24+/m0/s1 |
| InChIKey |
SWUKVPMGMNNNTM-YFFUSUENSA-N |
| Molecular Weight |
367.533 g/mol |
| SMILES |
[C@@]12(\C(=C/(C#N)C)CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](OC(=O)C)(C3)[H])C)[H])[H])C |
| SPLASH |
splash10-0a4i-0549000000-6324b8b8767f5030dc71 |
| Source of Spectrum |
J-44-707-0 |
| Wiley ID |
1352680 |
