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(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 4 MS (GC)

(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID FiNAgU1G7gL
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-GJAZBXDESA-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 whlJIMcqWX
Name beta-sitostanol
Alternate Name(s) (3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5S)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-GJAZBXDESA-N
Molecular Weight 416.734 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])([C@@](CC[C@](CC)(C(C)C)[H])(C)[H])[H])C)[H])C)[H]
SPLASH splash10-01y9-6972500000-e1cf53e069aa1275d2a7
Source of Spectrum PA-18-295-13
Wiley ID 1789527