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Anthraergostatetraenol

View entire compound with spectra: 1 NMR

Anthraergostatetraenol
SpectraBase Compound ID FPJyBoCAtUH
InChI InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-16-21-15-22(29)9-10-23(21)20(5)24(25)13-14-28(26,27)6/h7-8,16-19,22,26-27,29H,9-15H2,1-6H3/b8-7+
InChIKey CVRCBLVUANWXGH-BQYQJAHWSA-N
Mol Weight 394.6 g/mol
Molecular Formula C28H42O
Exact Mass 394.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZenY2XEcXV
Name Anthraergostatetraenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.323565971 u
Formula C28H42O
InChI InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-16-21-15-22(29)9-10-23(21)20(5)24(25)13-14-28(26,27)6/h7-8,16-19,22,26-27,29H,9-15H2,1-6H3/b8-7+
InChIKey CVRCBLVUANWXGH-BQYQJAHWSA-N
Molecular Weight 394.643 g/mol
SMILES C1=C2C(=C(C3=C1CC(CC3)O)C)CCC1(C2CCC1C(\C=C\C(C(C)C)C)C)C