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Benzoic acid, 3-[(6,7-dimethoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-4,6-dimethoxy-2-pentyl-, methyl ester
SpectraBase Compound ID 3TvIZbtm2PW
InChI InChI=1S/C31H40O9/c1-8-10-12-14-20-16-19-17-23(35-4)28(37-6)29(25(19)31(33)39-20)40-27-21(15-13-11-9-2)26(30(32)38-7)22(34-3)18-24(27)36-5/h16-18H,8-15H2,1-7H3
InChIKey ZKOCHGHZRMVDJT-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C31H40O9
Exact Mass 556.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FRkACEV0jZ
Name Benzoic acid, 3-[(6,7-dimethoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-4,6-dimethoxy-2-pentyl-, methyl ester
Alternate Name(s) Methyl 3-methoxy-4,2',4'-tri-0-methylisophysodate Methyl 3-methoxy-4,2',4'-tri-O-methylisophysodate Methyl 3-[(6,7-dimethoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-4,6-dimethoxy-2-pentylbenzoate
CAS Registry Number 56484-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40O9
InChI InChI=1S/C31H40O9/c1-8-10-12-14-20-16-19-17-23(35-4)28(37-6)29(25(19)31(33)39-20)40-27-21(15-13-11-9-2)26(30(32)38-7)22(34-3)18-24(27)36-5/h16-18H,8-15H2,1-7H3
InChIKey ZKOCHGHZRMVDJT-UHFFFAOYSA-N
Molecular Weight 556.652 g/mol
SMILES c12C(OC(=Cc2cc(OC)c(c1Oc1c(c(C(=O)OC)c(cc1OC)OC)CCCCC)OC)CCCCC)=O
SPLASH splash10-0a7i-0791130000-789e260f3c5f1ad7c0a1
Source of Spectrum B-28-857-0
Wiley ID 1406396