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26,27-Dinorergosta-4,22-dien-3-one, (22E)-

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26,27-Dinorergosta-4,22-dien-3-one, (22E)-
SpectraBase Compound ID FY7D0nKzvC2
InChI InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6-/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey FFRFYWBYDZTBDQ-NJHMKKDYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C26H40O
Exact Mass 368.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59DwZsOTKtD
Name 26,27-Dinorergosta-4,22-dien-3-one, (22E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.307915907 u
Formula C26H40O
InChI InChI=1S/C26H40O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,16-18,21-24H,8-15H2,1-5H3/b7-6-/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey FFRFYWBYDZTBDQ-NJHMKKDYSA-N
Molecular Weight 368.605 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](\C=C/C(C)C)(C)[H])[H])[H])C