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Pregn-5-en-3-ol, 20-(nitroamino)-, acetate (ester), (3.beta.,20R)-
SpectraBase Compound ID AhB3K6bFKnR
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
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fSt89NRgdz
Name Pregn-5-en-3-ol, 20-(nitroamino)-, acetate (ester), (3.beta.,20R)-
CAS Registry Number 76976-70-0
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 splash10-0a4l-0009000000-304e954836adc14219c1
Source of Spectrum KC-1988-3262-40
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 1371371