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5α-Androstan-17α-methyl-3α,17β-diol

View entire compound with spectra: 2 FTIR, 1 Raman, and 4 MS (GC)

5α-Androstan-17α-methyl-3α,17β-diol
SpectraBase Compound ID IjxhNOfPBtT
InChI InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey QGKQXZFZOIQFBI-XSWYFRFISA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22fgd73cau
Name (3R,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Registry Number 641-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey QGKQXZFZOIQFBI-XSWYFRFISA-N
Molecular Weight 306.490 g/mol
SMILES O[C@@]1(CC[C@]2([C@@](CC[C@]3([C@]4([C@@]([C@](CC4)(O)C)(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H]
SPLASH splash10-00lr-0191000000-1c946cc73e40c9a3909c
Source of Spectrum O-20-11-3
Synonyms 17-Methylandrostane-3,17-diol 17.alpha.-Methyl-5.alpha.-androstane-3.alpha.,17.beta.-diol 5.alpha.-Androstane-3.alpha.,17.beta.-diol, 17-methyl- Androstane-3,17-diol, 17-methyl-, (3.alpha.,5.alpha.,17.beta.)- Ba 2664
Wiley ID 1308583