benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate

SpectraBase Compound ID	KUtuseYUznd
InChI	InChI=1S/C37H44O9/c1-5-7-10-16-28(38)18-26-20-30(43-3)22-32(40)34(26)37(42)46-31-21-27(19-29(39)17-11-8-6-2)35(33(23-31)44-4)36(41)45-24-25-14-12-9-13-15-25/h9,12-15,20-23,40H,5-8,10-11,16-19,24H2,1-4H3
InChIKey	PQBJHOKYGIZPON-UHFFFAOYSA-N Google Search
Mol Weight	632.8 g/mol
Molecular Formula	C37H44O9
Exact Mass	632.298533 g/mol

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SpectraBase Spectrum ID	FN17Ah526f3
Name	benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H44O9
InChI	InChI=1S/C37H44O9/c1-5-7-10-16-28(38)18-26-20-30(43-3)22-32(40)34(26)37(42)46-31-21-27(19-29(39)17-11-8-6-2)35(33(23-31)44-4)36(41)45-24-25-14-12-9-13-15-25/h9,12-15,20-23,40H,5-8,10-11,16-19,24H2,1-4H3
InChIKey	PQBJHOKYGIZPON-UHFFFAOYSA-N
Molecular Weight	632.750 g/mol
SMILES	Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OC)CC(=O)CCCCC
SPLASH	splash10-0006-9000000000-84a7d985ff61998b4d39
Source of Spectrum	JA-50-479-0
Synonyms	4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxoheptyl)phenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate Benzyl 2'-O-methylmicrophyllinate Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
Wiley ID	1412206