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Cholesta-1,5,7-trien-3-ol, (3.beta.)-
SpectraBase Compound ID CCEINkVNfVX
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/h9-10,13,15,18-19,21,23-25,28H,6-8,11-12,14,16-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey RSUDQJUKBUVQHK-DDPQNLDTSA-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 L1kEz25HnDp
Name Cholesta-1,5,7-trien-3-ol, (3.beta.)-
CAS Registry Number 54604-59-0
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/h9-10,13,15,18-19,21,23-25,28H,6-8,11-12,14,16-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey RSUDQJUKBUVQHK-DDPQNLDTSA-N
Molecular Weight 382.632 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(C=C1)C)[H])[H])[H]
SPLASH splash10-0006-0907000000-c5692865aebe0d9cadb3
Source of Spectrum F-46-5312-6
Synonyms (3beta)-cholesta-1,5,7-trien-3-ol 1,5,7-Cholestatrlen-3.beta.-ol Cholesta-1,5,7-trien-3.beta.-ol (3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1360906