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5-BETA-CHOLAN-3-ALPHA-7-ALPHA-24-TRIOL

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5-BETA-CHOLAN-3-ALPHA-7-ALPHA-24-TRIOL
SpectraBase Compound ID AP2xpYwk9nZ
InChI InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-/m1/s1
InChIKey NGALQDLKWWSXMK-CBHFXPLJSA-N
Mol Weight 378.6 g/mol
Molecular Formula C24H42O3
Exact Mass 378.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Jzl2L9qUW0
Name (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-oxidanylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Alternate Name(s) (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
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Formula C24H42O3
InChI InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-/m1/s1
InChIKey NGALQDLKWWSXMK-CBHFXPLJSA-N
Molecular Weight 378.597 g/mol
SMILES O[C@@]1(CC[C@]2([C@](C[C@]([C@]3([C@]4([C@@]([C@@]([C@@](CCCO)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(O)[H])(C1)[H])C)[H]
SPLASH splash10-0006-7029000000-1df4d317489a163ed312
Source of Spectrum U1-1998-2406-3
Wiley ID 751775