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Ergosta-3,5,7,22-tetraene, (22E)-

View entire compound with spectra: 1 NMR

Ergosta-3,5,7,22-tetraene, (22E)-
SpectraBase Compound ID 4DUpWluTEJ6
InChI InChI=1S/C28H42/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/h7,9-13,19-21,24-26H,8,14-18H2,1-6H3/b11-10+
InChIKey MUQRQJGOXFKGBV-ZHACJKMWSA-N
Mol Weight 378.6 g/mol
Molecular Formula C28H42
Exact Mass 378.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QjQKDf7pTi
Name Ergosta-3,5,7,22-tetraene, (22E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.328651352 u
Formula C28H42
InChI InChI=1S/C28H42/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/h7,9-13,19-21,24-26H,8,14-18H2,1-6H3/b11-10+
InChIKey MUQRQJGOXFKGBV-ZHACJKMWSA-N
Molecular Weight 378.644 g/mol
SMILES C=1CCC2(C(C1)=CC=C1C2CCC2(C1CCC2C(\C=C\C(C)C(C)C)C)C)C