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5-ALPHA-CHOLEST-8(14)-EN-3-BETA,7-ALPHA-DIOL
SpectraBase Compound ID 18VV5kQipD6
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/h17-21,23-24,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,23+,24-,26+,27-/m1/s1
InChIKey GSHNIZXJELCQAO-ZWECLWEZSA-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 3LbKkJFa4Lr
Name (3S,5R,7R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS Registry Number 69140-06-3
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/h17-21,23-24,28-29H,6-16H2,1-5H3/t18-,19-,20+,21-,23+,24-,26+,27-/m1/s1
InChIKey GSHNIZXJELCQAO-ZWECLWEZSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]1(C[C@]2(C[C@](CC[C@@]2([C@]2(CC[C@]3(C(=C12)CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(O)[H])[H])[H]
SPLASH splash10-00e9-0098000000-26d53c284eee33b50abf
Source of Spectrum J-44-1288-0
Synonyms (3S,5R,7R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol 5-Cediol Cholest-8(14)-ene-3,7-diol Cholest-8(14)-ene-3,7-diol, (3beta,5alpha,7alpha)-
Wiley ID 1370686