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3.ALPHA.,24-DIHYDROXY-5.BETA.-CHOL-9(11)-ENE
SpectraBase Compound ID EdN90H1Yav7
InChI InChI=1S/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h11,16-21,25-26H,4-10,12-15H2,1-3H3/t16-,17-,18-,19+,20-,21+,23+,24-/m1/s1
InChIKey PCLVCBKFPLGSDV-SDOSKULHSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4C3aAxVUbk8
Name 3.ALPHA.,24-DIHYDROXY-5.BETA.-CHOL-9(11)-ENE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h11,16-21,25-26H,4-10,12-15H2,1-3H3/t16-,17-,18-,19+,20-,21+,23+,24-/m1/s1
InChIKey PCLVCBKFPLGSDV-SDOSKULHSA-N
Molecular Weight 360.582 g/mol
Nominal Mass 360 u
Number of Peaks 91
SMILES OCCC[C@]([C@@]1([C@]2(CC=C3[C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)C)[H])(C)[H]
SPLASH splash10-052f-8947000000-a8c7918f84a146550fcf
Source File Reference LMCM-15173-617K
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms CHOL-9(11)-ENE-3.ALPHA.,24-DIOL CHOL-9(11)-ENE-3,24-DIOL (3R,5R,8S,10S,13R,14S,17R)-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_502