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5-ALPHA-CHOLESTAN-7-BETA-OL
SpectraBase Compound ID HpsdGJhqmYq
InChI InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey AYPVMJMMFIKSHY-LPLCMDMPSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HG0ODj3QLCN
Name (5R,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
Alternate Name(s) (5R,7S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
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Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey AYPVMJMMFIKSHY-LPLCMDMPSA-N
Molecular Weight 388.680 g/mol
SMILES O[C@@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CC[C@@]2([C@@]2([C@@](CCCC2)([H])C1)C)[H])C)[H])[H])[H]
SPLASH splash10-05g4-9248000000-acf34c6c12fa1684bdf0
Source of Spectrum U-1995-1875-11
Wiley ID 767708