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3.alpha.-Methyl-A-homo-4a-cholesten-3.beta.-ol
SpectraBase Compound ID WVzZ4GGFfq
InChI InChI=1S/C29H50O/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-14-16-27(4,30)18-19-28(22,5)26(23)15-17-29(24,25)6/h14,20-21,23-26,30H,7-13,15-19H2,1-6H3/t21-,23+,24-,25+,26+,27-,28+,29-/m1/s1
InChIKey FJUACMBWOWNMCA-NZQQMHQFSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 919upYE0lTr
Name 3.alpha.-Methyl-A-homo-4a-cholesten-3.beta.-ol
Alternate Name(s) (1R,3aS,3bS,8S,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-8,10a,12a-trimethyl-1,2,3,3a,3b,4,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrocyclohepta[a]cyclopenta[f]naphthalen-8-ol
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Formula C29H50O
InChI InChI=1S/C29H50O/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-14-16-27(4,30)18-19-28(22,5)26(23)15-17-29(24,25)6/h14,20-21,23-26,30H,7-13,15-19H2,1-6H3/t21-,23+,24-,25+,26+,27-,28+,29-/m1/s1
InChIKey FJUACMBWOWNMCA-NZQQMHQFSA-N
Molecular Weight 414.718 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2=CC1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)C
SPLASH splash10-0a4m-9503000000-4a940b920f2f6b3a333c
Source of Spectrum KC-1981-2968-0
Wiley ID 1375802