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Stigmasta-5,22,25-trien-3-ol, acetate, (3.beta.,22Z,24S)-
SpectraBase Compound ID GmvtEWS6Tiw
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9-/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey MOEVEIGHSLNJAI-IGVRDTFRSA-N
Mol Weight 452.7 g/mol
Molecular Formula C31H48O2
Exact Mass 452.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdjVVBonbMu
Name Stigmasta-5,22,25-trien-3-ol, acetate, (3.beta.,22Z,24S)-
CAS Registry Number 130931-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O2
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9-/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey MOEVEIGHSLNJAI-IGVRDTFRSA-N
Molecular Weight 452.723 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C/[C@@](C(=C)C)(CC)[H])(C)[H])[H])[H])C
SPLASH splash10-0006-0079000000-ddad111f27f07df3e792
Source of Spectrum KC-1990-2217-2
Synonyms (22Z,24S)-stigmasta-5,22,25-trien-3.beta.-ol acetate (3beta,22Z,24S)-stigmasta-5,22,25-trien-3-yl acetate
Wiley ID 1388423