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5.alpha.-Cholestane-2.alpha.,19-diol

View entire compound with spectra: 1 MS (GC)

5.alpha.-Cholestane-2.alpha.,19-diol
SpectraBase Compound ID ITLTFD3mW5Y
InChI InChI=1S/C27H48O2/c1-18(2)6-5-7-19(3)23-12-13-24-22-11-9-20-8-10-21(29)16-27(20,17-28)25(22)14-15-26(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-/m1/s1
InChIKey JIBNPZVUSFQQRG-AYFGBMBNSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92EVfWyVkC9
Name 5.alpha.-Cholestane-2.alpha.,19-diol
Alternate Name(s) (2alpha,5alpha)-cholestane-2,19-diol 2.alpha.-hydroxy-19-hydroxymethyl-5.alpha.-cholestane
CAS Registry Number 28809-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)6-5-7-19(3)23-12-13-24-22-11-9-20-8-10-21(29)16-27(20,17-28)25(22)14-15-26(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-/m1/s1
InChIKey JIBNPZVUSFQQRG-AYFGBMBNSA-N
Molecular Weight 404.679 g/mol
SMILES O[C@]1(CC[C@@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@@]2(CO)C1)[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-0a4i-0009000000-25b355611f1a69846ed3
Source of Spectrum O-4-374-1
Wiley ID 1371577