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5.alpha.-Cholestan-3.alpha./.beta.-ol
SpectraBase Compound ID 35JhOO2daq8
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-RZOVDRORSA-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 418MWglyQS
Name 5.alpha.-Cholestan-3.alpha./.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-RZOVDRORSA-N
Instrument Name Carlo Erba QMD 1000 or Fisons MD800
Ionization Type EI
Literature Reference DOI 10.1021/np1008366
Molecular Weight 388.680 g/mol
SMILES OC1CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])[H])C
SPLASH splash10-00l6-5093000000-0271f8b1a7ad029f1d1b
Source of Spectrum G4-74-SM4-51
Wiley ID 1849159