Stigmasta-7,24(28)-dien-3-ol, (3.beta.,5.alpha.)-

SpectraBase Compound ID	BsO55tjq0m6
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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-
InChIKey	MCWVPSBQQXUCTB-YXSASFKJSA-N Google Search
Mol Weight	412.7 g/mol
Molecular Formula	C29H48O
Exact Mass	412.370516 g/mol

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SpectraBase Spectrum ID	8VuJoJYzYrU
Name	Stigmasta-7,24(28)-dien-3-ol, (3.beta.,5.alpha.)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.370516165 u
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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-
InChIKey	MCWVPSBQQXUCTB-YXSASFKJSA-N
Molecular Weight	412.702 g/mol
SMILES	C1(O)CCC2(C(C1)CC=C1C2CCC2(C1CCC2C(CC\C(=C\C)C(C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.903706