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3.ALPHA.,5.BETA.-DIHYDROXY-CHOLESTANE
SpectraBase Compound ID 3h6hQ9xTAhm
InChI InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+/m1/s1
InChIKey YGJKELZDRWFHOR-NQDJMPOBSA-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 FoIYHSjvHob
Name 3.ALPHA.,5.BETA.-DIHYDROXY-CHOLESTANE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 404.365430784 u
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+/m1/s1
InChIKey YGJKELZDRWFHOR-NQDJMPOBSA-N
Molecular Weight 404.679 g/mol
Nominal Mass 404 u
Number of Peaks 99
SMILES O[C@]12CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]1(CC[C@](C2)(O)[H])C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H]
SPLASH splash10-053l-9515000000-71be8c92db48ad8ec3bb
Source File Reference LMCM-54337-747E
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms CHOLESTANE-3,5-DIOL (3R,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol
Wiley ID 4_164