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Cholest-5-ene-3,7-diol, (3.alpha.,7.alpha.)-
SpectraBase Compound ID LUZtm4ubXLM
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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey OYXZMSRRJOYLLO-QDAKJXEVSA-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 Iltr8Zr0ULQ
Name Cholest-5-ene-3,7-diol, (3.alpha.,7.alpha.)-
CAS Registry Number 75686-38-3
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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey OYXZMSRRJOYLLO-QDAKJXEVSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]1(CC[C@]2(C(=C[C@]([C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(O)[H])C1)C)[H]
SPLASH splash10-00lr-0019000000-0e11cb98351bdd7b5a17
Source of Spectrum J-55-1437-9
Synonyms (3alpha,7alpha)-cholest-5-ene-3,7-diol Cholest-5-ene-3.alpha.,7.alpha.-diol (3R,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Wiley ID 1370693