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Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.,24E)-
SpectraBase Compound ID 52Cz3D0hNS4
InChI InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey LPZCCMIISIBREI-WJGZXGSFSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JGRecwSHY
Name Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3.beta.,4.alpha.,5.alpha.,24E)-
CAS Registry Number 39006-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8+/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey LPZCCMIISIBREI-WJGZXGSFSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@@]1([C@]([C@@]2(CC=C3[C@@]([C@]2(CC1)C)(CC[C@]1([C@]3(CC[C@@]1([C@@](CC\C(=C/C)C(C)C)(C)[H])[H])[H])C)[H])[H])(C)[H])[H]
SPLASH splash10-004r-0095300000-8bdc3f2a6185d98b30c8
Source of Spectrum K-110-1531-0
Synonyms (24(28)e)-4.alpha.-methyl-5.alpha.-stigmasta-7,24(28)-dien-3.beta.-ol (3beta,4alpha,5alpha,24E)-4-methylstigmasta-7,24(28)-dien-3-ol 28-Isocitrostadienol
Wiley ID 1380217