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4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid
SpectraBase Compound ID 6MXLHLOtuVl
InChI InChI=1S/C26H32O8/c1-5-7-8-10-18(27)11-17-13-19(32-3)14-21(28)23(17)26(31)34-20-12-16(9-6-2)24(25(29)30)22(15-20)33-4/h12-15,28H,5-11H2,1-4H3,(H,29,30)
InChIKey YXZWSBQVXAJKEV-UHFFFAOYSA-N
Mol Weight 472.5 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABbmkv7FdMI
Name 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O8
InChI InChI=1S/C26H32O8/c1-5-7-8-10-18(27)11-17-13-19(32-3)14-21(28)23(17)26(31)34-20-12-16(9-6-2)24(25(29)30)22(15-20)33-4/h12-15,28H,5-11H2,1-4H3,(H,29,30)
InChIKey YXZWSBQVXAJKEV-UHFFFAOYSA-N
Molecular Weight 472.534 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CC(=O)CCCCC)OC)O)=O)cc1CCC)OC)=O
SPLASH splash10-01q0-0920000000-5dceac52ba504fb2aa7b
Source of Spectrum JA-49-159-0
Synonyms 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzoyloxy]-2-methoxy-6-propylbenzoic acid 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxoheptyl)benzoyloxy]-2-methoxy-6-propylbenzoic acid 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxopentyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid 4-{[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy}-2-methoxy-6-propylbenzoic acid
Wiley ID 1393365