| SpectraBase Spectrum ID |
4ycsMz69xZq |
| Name |
Pregnan-3-ol, 18-iodo-20-(nitroamino)-, acetate (ester), (3.beta.,5.alpha.,20R)- |
| CAS Registry Number |
120563-78-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H37IN2O4 |
| InChI |
InChI=1S/C23H37IN2O4/c1-14(25-26(28)29)19-6-7-21-18-5-4-16-12-17(30-15(2)27)8-10-22(16,3)20(18)9-11-23(19,21)13-24/h14,16-21,25H,4-13H2,1-3H3/t14-,16-,17-,18?,19+,20?,21?,22-,23-/m0/s1 |
| InChIKey |
NRSBMEONFGNXMV-YSGKZRLXSA-N |
| Molecular Weight |
532.463 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)CI)[H])(C)[H] |
| SPLASH |
splash10-052f-0009100000-bffdfff684edc4d27b7f |
| Source of Spectrum |
KC-1988-3263-39 |
| Synonyms |
(20R)-18-iodo-20-nitroamino-5.alpha.-pregnan-3.beta.-yl acetate
Pregnan-3-ol, 18-iodo-20-(19-nitroamino)-, acetate (ester), (3.beta.,5.alpha.,20S)-
(20S)-20-nitroamino-5.alpha.-pregnan-3.beta.-yl acetate
(3beta,5alpha,20S)-20-(2,2-dioxido-2lambda(1)-diazanyl)-18-iodopregnan-3-yl acetate |
| Wiley ID |
1403546 |
