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3.beta.-(2-Hydroxy-2-ethylbutyl)-5.alpha.-cholestan-3-.alpha.-ol
SpectraBase Compound ID 2SkcXBMWQHV
InChI InChI=1S/C33H60O2/c1-8-32(34,9-2)22-33(35)20-19-30(6)25(21-33)13-14-26-28-16-15-27(24(5)12-10-11-23(3)4)31(28,7)18-17-29(26)30/h23-29,34-35H,8-22H2,1-7H3/t24-,25+,26+,27-,28+,29+,30+,31-,33-/m1/s1
InChIKey NPFAOGHURHGGKX-JTKILXMBSA-N
Mol Weight 488.8 g/mol
Molecular Formula C33H60O2
Exact Mass 488.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kIBccSMAmA
Name 3.beta.-(2-Hydroxy-2-ethylbutyl)-5.alpha.-cholestan-3-.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H60O2
InChI InChI=1S/C33H60O2/c1-8-32(34,9-2)22-33(35)20-19-30(6)25(21-33)13-14-26-28-16-15-27(24(5)12-10-11-23(3)4)31(28,7)18-17-29(26)30/h23-29,34-35H,8-22H2,1-7H3/t24-,25+,26+,27-,28+,29+,30+,31-,33-/m1/s1
InChIKey NPFAOGHURHGGKX-JTKILXMBSA-N
Molecular Weight 488.841 g/mol
SMILES O[C@]1(CC(CC)(CC)O)CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C
SPLASH splash10-052f-9000000000-8268bd1500baf8900542
Source of Spectrum KD-12-807-10
Synonyms 3-{[(3alpha,5alpha)-3-hydroxycholestan-3-yl]methyl}-3-pentanol
Wiley ID 1634304