| SpectraBase Spectrum ID |
L5hLRPbX1hD |
| Name |
Pregn-5-en-3-ol, 18-iodo-20-(nitroamino)-, acetate (ester), (3.beta.,20R)- |
| CAS Registry Number |
76976-74-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H35IN2O4 |
| InChI |
InChI=1S/C23H35IN2O4/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/h4,14,17-21,25H,5-13H2,1-3H3/t14-,17+,18?,19-,20?,21?,22+,23+/m1/s1 |
| InChIKey |
FGGZUBDFTVCLBN-DWSBSFNNSA-N |
| Molecular Weight |
530.447 g/mol |
| SMILES |
N(N(=O)=O)[C@@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC1)CI)[H])(C)[H] |
| SPLASH |
splash10-006x-0009800000-28a90d0530d57f3ee388 |
| Source of Spectrum |
KC-1988-3261-27 |
| Synonyms |
(20R)-18-iodo-20-nitroaminoprehn-5-en-3.beta.-yl acetate
(3beta,20R)-20-(2,2-dioxido-2lambda(1)-diazanyl)-18-iodopregn-5-en-3-yl acetate |
| Wiley ID |
1403281 |
