Benzoic acid, 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)-, methyl ester

SpectraBase Compound ID	6CMYhLMhu2U
InChI	InChI=1S/C31H38O9/c1-6-8-10-12-20(32)16-23-28(30(34)38-5)24(33)18-26(37-4)29(23)40-25-17-22(36-3)15-19-14-21(13-11-9-7-2)39-31(35)27(19)25/h14-15,17-18,33H,6-13,16H2,1-5H3
InChIKey	RRJNRHGOCQACEY-UHFFFAOYSA-N Google Search
Mol Weight	554.6 g/mol
Molecular Formula	C31H38O9
Exact Mass	554.251583 g/mol

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SpectraBase Spectrum ID	LXpI9xCmHDv
Name	Benzoic acid, 6-hydroxy-4-methoxy-3-[(6-methoxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-2-(2-oxoheptyl)-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	554.251582795 u
Formula	C31H38O9
InChI	InChI=1S/C31H38O9/c1-6-8-10-12-20(32)16-23-28(30(34)38-5)24(33)18-26(37-4)29(23)40-25-17-22(36-3)15-19-14-21(13-11-9-7-2)39-31(35)27(19)25/h14-15,17-18,33H,6-13,16H2,1-5H3
InChIKey	RRJNRHGOCQACEY-UHFFFAOYSA-N
Molecular Weight	554.636 g/mol
SMILES	C1(C2=C(OC3=C(C(C(=O)OC)=C(C=C3OC)O)CC(=O)CCCCC)C=C(C=C2C=C(O1)CCCCC)OC)=O