| SpectraBase Spectrum ID |
98kXSqmCagC |
| Name |
Pregnan-20-one, 3-(acetyloxy)-18-azido-, (3.beta.,5.alpha.)- |
| CAS Registry Number |
53864-96-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H35N3O3 |
| InChI |
InChI=1S/C23H35N3O3/c1-14(27)19-6-7-21-18-5-4-16-12-17(29-15(2)28)8-10-22(16,3)20(18)9-11-23(19,21)13-25-26-24/h16-21H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-/m0/s1 |
| InChIKey |
WBNVSXVONGIXMT-WNCKLLFJSA-N |
| Molecular Weight |
401.551 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])CN=[N+]=[N-] |
| SPLASH |
splash10-0006-9025000000-e2444cda783a6d4704e4 |
| Source of Spectrum |
F-34-1534-0 |
| Synonyms |
(3beta,5alpha)-18-azido-20-oxopregnan-3-yl acetate
3.beta.-acetoxy-18-azido-5.alpha.,17.beta.-pregnan-20-one |
| Wiley ID |
1370027 |
