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Ergosta-5,22-dien-3-ol -H2O @P1358

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ergosta-5,22-dien-3-ol -H2O @P1358
SpectraBase Compound ID 2HbkD92noVn
InChI InChI=1S/C28H44/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h7,9-12,19-21,23-26H,8,13-18H2,1-6H3/b11-10+
InChIKey VEQSWCXLXGRGCT-ZHACJKMWSA-N
Mol Weight 380.7 g/mol
Molecular Formula C28H44
Exact Mass 380.344301 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ka1d13WEu0
Name Ergosta-5,22-dien-3-ol -H2O @P1358
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.344301417 u
Formula C28H44
InChI InChI=1S/C28H44/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h7,9-12,19-21,23-26H,8,13-18H2,1-6H3/b11-10+
InChIKey VEQSWCXLXGRGCT-ZHACJKMWSA-N
Molecular Weight 380.660 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC=C4)C)CCC1C(\C=C\C(C(C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882059