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Androstan-3-ol, 17-(nitroamino)-, acetate (ester), (3.beta.,5.alpha.,17.beta.)-
SpectraBase Compound ID 3Uj0bPMSmjb
InChI InChI=1S/C21H34N2O4/c1-13(24)27-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22-23(25)26)21(17,3)11-9-18(16)20/h14-19,22H,4-12H2,1-3H3/t14-,15-,16?,17?,18?,19-,20-,21-/m0/s1
InChIKey WGNQCTFAJYXVGA-GUTMXOAQSA-N
Mol Weight 378.5 g/mol
Molecular Formula C21H34N2O4
Exact Mass 378.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rvOE3lNNLV
Name Androstan-3-ol, 17-(nitroamino)-, acetate (ester), (3.beta.,5.alpha.,17.beta.)-
Alternate Name(s) (3beta,5alpha,17beta)-17-(2,2-dioxido-2lambda(1)-diazanyl)androstan-3-yl acetate 17.beta.-nitroamino-5.alpha.-androstan-3.beta.-yl acetate
CAS Registry Number 86270-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34N2O4
InChI InChI=1S/C21H34N2O4/c1-13(24)27-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22-23(25)26)21(17,3)11-9-18(16)20/h14-19,22H,4-12H2,1-3H3/t14-,15-,16?,17?,18?,19-,20-,21-/m0/s1
InChIKey WGNQCTFAJYXVGA-GUTMXOAQSA-N
Molecular Weight 378.513 g/mol
SMILES N(N(=O)=O)[C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H]
SPLASH splash10-0002-0932000000-6f3f2dde8f2ee1711083
Source of Spectrum KC-1983-302-0
Wiley ID 1358809