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5a-Cholestan-3a-ol
SpectraBase Compound ID FKrE895x2ug
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QYIXCDOBOSTCEI-FBVYSKEZSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtraINvL379
Name 3.ALPHA.-HYDROXY-5.ALPHA.-CHOLESTAN
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.370516165 u
Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QYIXCDOBOSTCEI-FBVYSKEZSA-N
Molecular Weight 388.680 g/mol
Nominal Mass 388 u
Number of Peaks 76
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H]
SPLASH splash10-053i-9533000000-166b8d4ecf3783105004
Source File Reference LMCM-86587-672K
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms CHOLESTAN-3-OL (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_534