benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate

SpectraBase Compound ID	KMs6F1Bwv7k
InChI	InChI=1S/C41H54O9/c1-5-7-9-11-16-20-31-24-34(27-36(46-4)38(31)39(43)47-29-30-18-14-13-15-19-30)50-40(44)37-32(25-33(45-3)26-35(37)42)28-41(48-22-23-49-41)21-17-12-10-8-6-2/h13-15,18-19,24-27,42H,5-12,16-17,20-23,28-29H2,1-4H3
InChIKey	VWGFORXZTAFYHE-UHFFFAOYSA-N Google Search
Mol Weight	690.9 g/mol
Molecular Formula	C41H54O9
Exact Mass	690.376783 g/mol

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SpectraBase Spectrum ID	J2VQ9sEhMmp
Name	benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C41H54O9
InChI	InChI=1S/C41H54O9/c1-5-7-9-11-16-20-31-24-34(27-36(46-4)38(31)39(43)47-29-30-18-14-13-15-19-30)50-40(44)37-32(25-33(45-3)26-35(37)42)28-41(48-22-23-49-41)21-17-12-10-8-6-2/h13-15,18-19,24-27,42H,5-12,16-17,20-23,28-29H2,1-4H3
InChIKey	VWGFORXZTAFYHE-UHFFFAOYSA-N
Molecular Weight	690.874 g/mol
SMILES	Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCCCC)cc(c1)OC
SPLASH	splash10-0006-9000000000-3b93f273feed88202d19
Source of Spectrum	JA-49-917-0
Synonyms	4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 2-[(2-heptyl-1,3-dioxolan-2-yl)methyl]-6-hydroxy-4-methoxybenzoate Benzyl 6- heptyl-4-[6'-{(2''-heptyl-1'',3''-dioxolan-2''-yl)methyl}-2'-hydroxy-4'-methoxybenzoyloxy]-2-methoxybenzoate
Wiley ID	1414681