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3-.alpha.,17.beta.-Dihydroxy-5-aza-B-homoandrostan-6-one 17-Benzoate
SpectraBase Compound ID 6xPbQtVgLK1
InChI InChI=1S/C26H35NO4/c1-25-14-13-21-19(8-11-23(29)27-16-18(28)12-15-26(21,27)2)20(25)9-10-22(25)31-24(30)17-6-4-3-5-7-17/h3-7,18-22,28H,8-16H2,1-2H3/t18-,19?,20?,21?,22+,25+,26-/m1/s1
InChIKey HSAAKBAACMTYNH-PYQLQCGDSA-N
Mol Weight 425.6 g/mol
Molecular Formula C26H35NO4
Exact Mass 425.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhyiAfKS3V5
Name 3-.alpha.,17.beta.-Dihydroxy-5-aza-B-homoandrostan-6-one 17-Benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO4
InChI InChI=1S/C26H35NO4/c1-25-14-13-21-19(8-11-23(29)27-16-18(28)12-15-26(21,27)2)20(25)9-10-22(25)31-24(30)17-6-4-3-5-7-17/h3-7,18-22,28H,8-16H2,1-2H3/t18-,19?,20?,21?,22+,25+,26-/m1/s1
InChIKey HSAAKBAACMTYNH-PYQLQCGDSA-N
Molecular Weight 425.569 g/mol
SMILES O[C@@]1(CC[C@]2(N(C(CCC3C4CC[C@@]([C@]4(CCC23)C)(OC(=O)c2ccccc2)[H])=O)C1)C)[H]
SPLASH splash10-053r-0500900000-d0dc7c9d6880f3805a97
Source of Spectrum J-57-4119-4
Wiley ID 1404486