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Bracteaxanthone I

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

Bracteaxanthone I
SpectraBase Compound ID CNC4BckqRmc
InChI InChI=1S/C23H24O7/c1-6-23(4,5)16-19(28)12(9-14(25)10(2)3)18(27)15-17(26)11-7-8-13(24)20(29)21(11)30-22(15)16/h6-8,14,24-25,27-29H,1-2,9H2,3-5H3
InChIKey WMHKGGITIQNIDV-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C23H24O7
Exact Mass 412.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Rs32VckPC2
Name Bracteaxanthone I
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.152203106 u
Formula C23H24O7
InChI InChI=1S/C23H24O7/c1-6-23(4,5)16-19(28)12(9-14(25)10(2)3)18(27)15-17(26)11-7-8-13(24)20(29)21(11)30-22(15)16/h6-8,14,24-25,27-29H,1-2,9H2,3-5H3
InChIKey WMHKGGITIQNIDV-UHFFFAOYSA-N
Molecular Weight 412.438 g/mol
SMILES C12=C(OC3=C(C2=O)C=CC(=C3O)O)C(C(C=C)(C)C)=C(C(=C1O)CC(C(=C)C)O)O