| SpectraBase Spectrum ID |
GEmz91OqGpr |
| Name |
3.beta.-Hydroxypregna-5,17(20)-diene-21-nitrile Acetate |
| Alternate Name(s) |
(3beta,17E)-21-nitrilopregna-5,17-dien-3-yl acetate |
| CAS Registry Number |
2312-10-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H31NO2 |
| InChI |
InChI=1S/C23H31NO2/c1-15(25)26-18-8-11-23(3)17(14-18)4-6-19-20-7-5-16(10-13-24)22(20,2)12-9-21(19)23/h4,10,18-21H,5-9,11-12,14H2,1-3H3/b16-10+/t18-,19-,20-,21-,22+,23-/m0/s1 |
| InChIKey |
CTCRYIANBRMWFC-PSSKJIMRSA-N |
| Molecular Weight |
353.506 g/mol |
| SMILES |
[C@]12(C(=CC[C@]3([C@@]4(CC\C([C@]4(CC[C@]23[H])C)=C/C#N)[H])[H])C[C@@](OC(=O)C)(CC1)[H])C |
| SPLASH |
splash10-0006-0490000000-4502dd4e9b38ddf267f7 |
| Source of Spectrum |
J-44-707-0 |
| Wiley ID |
1344111 |
