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(22E)-Ergosta-4,6,22-triene

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

(22E)-Ergosta-4,6,22-triene
SpectraBase Compound ID KvBCs2cuiQs
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/h9-13,19-21,23-26H,7-8,14-18H2,1-6H3/b11-10+
InChIKey YOVHCVTUVNIJTE-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 DKnCaKtzJ6p
Name (22E)-Ergosta-4,6,22-triene
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/h9-13,19-21,23-26H,7-8,14-18H2,1-6H3/b11-10+
InChIKey YOVHCVTUVNIJTE-ZHACJKMWSA-N
Molecular Weight 380.660 g/mol
SMILES CC(C)C(C)\C=C\C(C)C1CCC2C3C=CC4=CCCCC4(C)C3CCC12C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814083