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Cholest-8-ene-3,7-diol, (3.beta.,5.alpha.,7.alpha.)-
SpectraBase Compound ID 6MQr8zsHwNS
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-22,24,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,24-,26+,27-/m1/s1
InChIKey PWTCIPJSINKGPB-XVIRZQTDSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt6nI2IV6aP
Name Cholest-8-ene-3,7-diol, (3.beta.,5.alpha.,7.alpha.)-
Alternate Name(s) (3beta,5alpha,7alpha)-cholest-8-ene-3,7-diol 5.alpha.-cholest-8-ene-3.beta.,7.alpha.-diol
CAS Registry Number 116561-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-22,24,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,24-,26+,27-/m1/s1
InChIKey PWTCIPJSINKGPB-XVIRZQTDSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@]1(C2=C([C@]3(CC[C@@](C[C@@]3(C1)[H])(O)[H])C)CC[C@@]1([C@](CC[C@@]21[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H]
SPLASH splash10-001i-0019000000-14085256442f017e4868
Source of Spectrum F-44-1951-46
Wiley ID 1370688