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SPINASTEROL;STIGMASTA-(7,22E)-DIEN-3-BETA-OL
SpectraBase Compound ID KQuTcGBG8Ra
InChI InChI=1S/C29H48O/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-FXIAWGAOSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeezrwGKOWs
Name 5alpha-Sitosterin-7,22-dien-3beta-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-FXIAWGAOSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@]2([C@](C1)(CC=C1[C@@]2(CC[C@]2([C@@]1([H])CC[C@@]2([C@](C)(\C=C\[C@](C(C)C)(CC)[H])[H])[H])C)[H])[H])C)[H]
SPLASH splash10-0ab9-6092400000-920c4daa9e0fe3adfa6d
Source of Spectrum APC-314-24-5
Synonyms (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1787873