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(22E)-Ergosta-4,7,22-trien-3-ol

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(22E)-Ergosta-4,7,22-trien-3-ol
SpectraBase Compound ID 2DC8vHOuQGX
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,17-20,22,24-26,29H,9,11-16H2,1-6H3/b8-7+
InChIKey ZAILCZQBNDZEPC-BQYQJAHWSA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSm46AS7Pkf
Name (22E)-Ergosta-4,7,22-trien-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.339216036 u
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,17-20,22,24-26,29H,9,11-16H2,1-6H3/b8-7+
InChIKey ZAILCZQBNDZEPC-BQYQJAHWSA-N
Molecular Weight 396.659 g/mol
SMILES CC(C)C(C)\C=C\C(C)C1CCC2C3=CCC4=CC(O)CCC4(C)C3CCC12C