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(3beta)-cholesta-5,7,9(11)-trien-3-ol
SpectraBase Compound ID 3BK12eLUhBr
InChI InChI=1S/C27H42O/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/h9-10,14,18-19,21,23-24,28H,6-8,11-13,15-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKey YQYYDLWKDGKMKI-BXAZICILSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HstFaR6KEUB
Name (3beta)-cholesta-5,7,9(11)-trien-3-ol
Alternate Name(s) (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 51982-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/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/h9-10,14,18-19,21,23-24,28H,6-8,11-13,15-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
InChIKey YQYYDLWKDGKMKI-BXAZICILSA-N
Molecular Weight 382.632 g/mol
SMILES O[C@]1(CC[C@@]2(C=3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])=CC=C2C1)C)[H]
SPLASH splash10-0bta-7976000000-7f6279fafaa76d19f54e
Source of Spectrum SD-1992-0-0
Wiley ID 161331