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5.beta.-Androstane-3.alpha.,17.beta.-diol, O,O'-di-propionyl
SpectraBase Compound ID Dukx6W1CWJv
InChI InChI=1S/C25H40O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h16-21H,5-15H2,1-4H3/t16-,17-,18?,19?,20?,21+,24+,25+/m1/s1
InChIKey FWAYUWSHYLKUEY-QOZQXGKMSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xoeDXnUPeQ
Name 5.beta.-Androstane-3.alpha.,17.beta.-diol, O,O'-di-propionyl
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h16-21H,5-15H2,1-4H3/t16-,17-,18?,19?,20?,21+,24+,25+/m1/s1
InChIKey FWAYUWSHYLKUEY-QOZQXGKMSA-N
Molecular Weight 404.591 g/mol
Nominal Mass 404 u
Number of Peaks 87
SMILES CCC(=O)O[C@]1(C[C@@]2([H])CCC3C4CC[C@](OC(CC)=O)([C@@]4(C)CCC3[C@@]2(C)CC1)[H])[H]
SPLASH splash10-0a4i-8972000000-8563e1b07fb5d2d089e9
Source File Reference DSHS_50_0375
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Wiley ID 50_375