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3-Oxopinoresinol
SpectraBase Compound ID JZak1xvDtmH
InChI InChI=1S/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3/t12-,17-,18-,19+/m1/s1
InChIKey JOVBAVJQHJYOID-HDBZGKQISA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NKoZFgf0RK
Name 3-Oxopinoresinol
Alternate Name(s) (3S,3aS,6R,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3/t12-,17-,18-,19+/m1/s1
InChIKey JOVBAVJQHJYOID-HDBZGKQISA-N
Molecular Weight 372.373 g/mol
SMILES Oc1ccc([C@]2([C@]3([C@]([C@@](c4cc(c(cc4)O)OC)(OC3=O)[H])(CO2)[H])[H])[H])cc1OC
SPLASH splash10-0fl0-0905000000-bb8b10eeb6613d9487eb
Source of Spectrum QA-52-839-22
Wiley ID 1796141