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benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate
SpectraBase Compound ID 9sGTkTYTSB
InChI InChI=1S/C33H38O9/c1-5-7-9-15-22-18-26(35)31(30(36)29(22)32(37)41-20-21-13-10-8-11-14-21)42-33(38)28-23(16-24(34)12-6-2)17-25(39-3)19-27(28)40-4/h8,10-11,13-14,17-19,35-36H,5-7,9,12,15-16,20H2,1-4H3
InChIKey DKSGDOCWLSSVDR-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C33H38O9
Exact Mass 578.251583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2NiuCnVtV3
Name benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C33H38O9
InChI InChI=1S/C33H38O9/c1-5-7-9-15-22-18-26(35)31(30(36)29(22)32(37)41-20-21-13-10-8-11-14-21)42-33(38)28-23(16-24(34)12-6-2)17-25(39-3)19-27(28)40-4/h8,10-11,13-14,17-19,35-36H,5-7,9,12,15-16,20H2,1-4H3
InChIKey DKSGDOCWLSSVDR-UHFFFAOYSA-N
Molecular Weight 578.658 g/mol
SMILES Oc1c(c(c(c(c1)CCCCC)C(OCc1ccccc1)=O)O)OC(c1c(cc(cc1OC)OC)CC(=O)CCC)=O
SPLASH splash10-0006-9000000000-62af9d6e6121682029c1
Source of Spectrum B-50-484-38
Synonyms Benzyl 3-[2',4'-dimethoxy-6'-(2''-oxopentyl)benzoyloxy]-2,4-dihydroxy-6-pentylbenzoate benzyl 3-{[2,4-dimethoxy-6-(2-oxopentyl)benzoyl]oxy}-2,4-dihydroxy-6-pentylbenzoate Benzyl 4-O-methyl-oxocryptochlorophaeate
Wiley ID 745666