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(3beta)-stigmastan-3-ol
SpectraBase Compound ID 7KCDs8PZwgU
InChI InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey LGJMUZUPVCAVPU-WVYCYQFRSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KW0ExEQZ9ik
Name (3beta)-stigmastan-3-ol
Alternate Name(s) Stigmastan-3-ol (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Formula C29H52O
InChI InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey LGJMUZUPVCAVPU-WVYCYQFRSA-N
Molecular Weight 416.734 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCC(C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-05o1-9540300000-e0afbf9deda251b9df61
Source of Spectrum F-30-4101-9
Wiley ID 1376697