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Cholestan-3-ol, 3-(1,3-butadienyl)-, (3.alpha.,5.alpha.)-
SpectraBase Compound ID 4WdYweWMXW3
InChI InChI=1S/C31H52O/c1-7-8-17-31(32)20-19-29(5)24(21-31)12-13-25-27-15-14-26(23(4)11-9-10-22(2)3)30(27,6)18-16-28(25)29/h7-8,17,22-28,32H,1,9-16,18-21H2,2-6H3/b17-8+/t23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey KHNOJLIXWXSRJU-HJOBZKCYSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 675zOyHXsMY
Name Cholestan-3-ol, 3-(1,3-butadienyl)-, (3.alpha.,5.alpha.)-
Alternate Name(s) (3alpha,5alpha)-3-[(1E)-1,3-butadienyl]cholestan-3-ol 3.beta.-(1,3-butadienyl)-5.alpha.-cholestan-3.alpha.-ol
CAS Registry Number 107902-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-7-8-17-31(32)20-19-29(5)24(21-31)12-13-25-27-15-14-26(23(4)11-9-10-22(2)3)30(27,6)18-16-28(25)29/h7-8,17,22-28,32H,1,9-16,18-21H2,2-6H3/b17-8+/t23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey KHNOJLIXWXSRJU-HJOBZKCYSA-N
Molecular Weight 440.756 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)\C=C\C=C
SPLASH splash10-0006-9000400000-96465d6ff7742d65085d
Source of Spectrum AJ-59-2469-6
Wiley ID 1384972