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Androstane-3,7,12,17-tetrol, 3,7,12-triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)-
SpectraBase Compound ID 9o7CNAdBYk1
InChI InChI=1S/C25H38O7/c1-13(26)30-17-8-9-24(4)16(10-17)11-20(31-14(2)27)23-18-6-7-21(29)25(18,5)22(12-19(23)24)32-15(3)28/h16-23,29H,6-12H2,1-5H3/t16?,17-,18+,19+,20-,21?,22+,23+,24+,25+/m1/s1
InChIKey UWCFDBARCBKYAF-DFUMSNKUSA-N
Mol Weight 450.6 g/mol
Molecular Formula C25H38O7
Exact Mass 450.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Csh7FGoRT1o
Name Androstane-3,7,12,17-tetrol, 3,7,12-triacetate, (3.alpha.,5.beta.,7.alpha.,12.alpha.,17.beta.)-
CAS Registry Number 69889-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O7
InChI InChI=1S/C25H38O7/c1-13(26)30-17-8-9-24(4)16(10-17)11-20(31-14(2)27)23-18-6-7-21(29)25(18,5)22(12-19(23)24)32-15(3)28/h16-23,29H,6-12H2,1-5H3/t16?,17-,18+,19+,20-,21?,22+,23+,24+,25+/m1/s1
InChIKey UWCFDBARCBKYAF-DFUMSNKUSA-N
Molecular Weight 450.572 g/mol
SMILES OC1[C@@]2([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C[C@@]2(OC(=O)C)[H])[H])(CC[C@@](OC(=O)C)(C4)[H])C)(OC(=O)C)[H])[H])(CC1)[H])C
SPLASH splash10-004i-0090000000-a52a39d790dbcef6b06f
Source of Spectrum O-13-407-3
Synonyms (3alpha,7alpha,12alpha)-3,12-bis(acetyloxy)-17-hydroxyandrostan-7-yl acetate 3.alpha.,7.alpha.,12.alpha.-triacetoxyandrostan-17-ol
Wiley ID 1387708