| SpectraBase Spectrum ID |
GVUw7sAG3R1 |
| Name |
Pregnan-3-ol, 20-(nitroamino)-, acetate (ester), (3.beta.,5.alpha.,20S)- |
| CAS Registry Number |
120563-76-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H38N2O4 |
| InChI |
InChI=1S/C23H38N2O4/c1-14(24-25(27)28)19-7-8-20-18-6-5-16-13-17(29-15(2)26)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,24H,5-13H2,1-4H3/t14-,16-,17-,18?,19+,20?,21?,22-,23+/m0/s1 |
| InChIKey |
BVULDLHVJFXCFR-HPEVEEGUSA-N |
| Molecular Weight |
406.567 g/mol |
| SMILES |
N(N(=O)=O)[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(C)[H] |
| SPLASH |
splash10-0296-0039000000-6638372e0a2a6365f1b5 |
| Source of Spectrum |
KC-1988-3263-34 |
| Synonyms |
(20S)-20-nitroamino-5.alpha.-pregnan-3.beta.-yl acetate
(3beta,5alpha,20S)-20-(2,2-dioxido-2lambda(1)-diazanyl)pregnan-3-yl acetate |
| Wiley ID |
1372216 |
