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5-ALPHA-CHOLESTAN-5-OL
SpectraBase Compound ID 7lzBDfHbrdP
InChI InChI=1S/C27H48O/c1-19(2)9-8-10-20(3)22-11-12-23-21-13-18-27(28)16-7-6-15-26(27,5)24(21)14-17-25(22,23)4/h19-24,28H,6-18H2,1-5H3/t20-,21+,22-,23+,24+,25-,26-,27+/m1/s1
InChIKey LJSXUKQWGACPQQ-QKWCZOFSSA-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 5Lw3BCoDgF3
Name 5.ALPHA.-HYDROXY-CHOLESTAN
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.370516165 u
Formula C27H48O
InChI InChI=1S/C27H48O/c1-19(2)9-8-10-20(3)22-11-12-23-21-13-18-27(28)16-7-6-15-26(27,5)24(21)14-17-25(22,23)4/h19-24,28H,6-18H2,1-5H3/t20-,21+,22-,23+,24+,25-,26-,27+/m1/s1
InChIKey LJSXUKQWGACPQQ-QKWCZOFSSA-N
Molecular Weight 388.680 g/mol
Nominal Mass 388 u
Number of Peaks 61
SMILES O[C@]12CCCC[C@@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-05fr-9336000000-4033784c2fabb5b68d16
Source File Reference LMCM-11661-521Q
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms CHOLESTAN-5-OL (5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-5-ol
Wiley ID 4_82