| SpectraBase Spectrum ID |
JIuncTPKoV8 |
| Name |
Pregn-5-en-3-ol, 20-(nitroamino)-, acetate (ester), (3.beta.,20R)- |
| CAS Registry Number |
76976-70-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36N2O4 |
| InChI |
InChI=1S/C23H36N2O4/c1-14-19-6-7-21-18-5-4-16-12-17(29-15(2)26)8-10-22(16,3)20(18)9-11-23(19,21)13-24(14)25(27)28/h14,16-21H,4-13H2,1-3H3/t14-,16+,17+,18?,19-,20?,21?,22+,23+/m1/s1 |
| InChIKey |
DQZQSXFQEOIJLS-FHOPVRMHSA-N |
| Molecular Weight |
404.551 g/mol |
| SMILES |
C1N(N(=O)=O)[C@@]([C@]2(CCC3[C@@]12CCC1[C@@]2([C@@](CCC31)(C[C@](CC2)(OC(=O)C)[H])[H])C)[H])(C)[H] |
| SPLASH |
splash10-0a4i-0009000000-11d5b30bf9c065a4fdd9 |
| Source of Spectrum |
KC-1988-3263-45 |
| Synonyms |
(20S)-N-Nitro-18,20-epimino-5.alpha.-pregnan-3.beta.-yl Acetate
(20R)-N-nitro-18,20-epimino-5.alpha.-pregnan-3.beta.-yl acetate
(3R,3aS,7aS,9S,11aS,13aR)-3,11a-dimethyl-2-nitrooctadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-yl acetate
20.beta.-nitroaminopregn-5-en-3.beta.-yl acetate |
| Wiley ID |
1371374 |
