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5-(1,3-Benzodioxol-5-yl)-9-hydroxyfuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol]-6(8H)-one (taiwanin E)
SpectraBase Compound ID HtLKhF8To4y
InChI InChI=1S/C20H12O7/c21-19-11-5-16-15(26-8-27-16)4-10(11)17(18-12(19)6-23-20(18)22)9-1-2-13-14(3-9)25-7-24-13/h1-5,21H,6-8H2
InChIKey YYFMUDJSHVYJGD-UHFFFAOYSA-N
Mol Weight 364.31 g/mol
Molecular Formula C20H12O7
Exact Mass 364.058303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDKen34hdVf
Name 5-(1,3-Benzodioxol-5-yl)-9-hydroxyfuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol]-6(8H)-one (taiwanin E)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.058302719 u
Formula C20H12O7
InChI InChI=1S/C20H12O7/c21-19-11-5-16-15(26-8-27-16)4-10(11)17(18-12(19)6-23-20(18)22)9-1-2-13-14(3-9)25-7-24-13/h1-5,21H,6-8H2
InChIKey YYFMUDJSHVYJGD-UHFFFAOYSA-N
Molecular Weight 364.309 g/mol
SMILES C1=2C(=C(C=3C=C4OCOC4=CC3)C=3C(C2O)=CC=2OCOC2C3)C(=O)OC1