Ergosta-5, 24(28)-dien-2,3- cis-diol

SpectraBase Compound ID	LW5FSiwZ3Jz
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-11-12-23-21-10-9-20-15-25(29)26(30)16-28(20,6)24(21)13-14-27(22,23)5/h9,17,19,21-26,29-30H,3,7-8,10-16H2,1-2,4-6H3
InChIKey	NXPWPFRPPGHFQT-UHFFFAOYSA-N Google Search
Mol Weight	414.7 g/mol
Molecular Formula	C28H46O2
Exact Mass	414.349781 g/mol

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SpectraBase Spectrum ID	4aMieock6RM
Name	Ergosta-5, 24(28)-dien-2,3- cis-diol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	414.349780719 u
Formula	C28H46O2
InChI	InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-11-12-23-21-10-9-20-15-25(29)26(30)16-28(20,6)24(21)13-14-27(22,23)5/h9,17,19,21-26,29-30H,3,7-8,10-16H2,1-2,4-6H3
InChIKey	NXPWPFRPPGHFQT-UHFFFAOYSA-N
Molecular Weight	414.674 g/mol
SMILES	C1(CC2(C3C(CC=C2CC1O)C1C(C(CC1)C(CCC(C(C)C)=C)C)(C)CC3)C)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.841415