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(22E)-Stigmasta-4,22-dien-3-ol
SpectraBase Compound ID AeEWvOw1J0X
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/h8-9,18-21,23-27,30H,7,10-17H2,1-6H3/b9-8+
InChIKey QZEVHCZWWYKVHL-CMDGGOBGSA-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 1ufPvgJJCa
Name (22E)-Stigmasta-4,22-dien-3-ol
CAS Registry Number 57815-94-8
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/h8-9,18-21,23-27,30H,7,10-17H2,1-6H3/b9-8+
InChIKey QZEVHCZWWYKVHL-CMDGGOBGSA-N
Molecular Weight 412.702 g/mol
SMILES OC1C=C2CCC3C4CCC(C(\C=C\C(CC)C(C)C)C)C4(CCC3C2(CC1)C)C
SPLASH splash10-0bu0-9862200000-8192fd8482b2b3b4beef
Source of Spectrum W6-1989-38398-27138
Synonyms 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Stigmasta-4,22-dien-3.beta.-ol
Wiley ID 142146