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Benzoic acid, 2-hydroxy-4-[[6-methoxy-2-methyl-3,4-bis(phenylmethoxy)benzoyl]oxy]-6-methyl-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester
SpectraBase Compound ID 46fs3Q69RI6
InChI InChI=1S/C46H40O11/c1-28-20-34(22-36(47)40(28)44(49)55-27-33-18-12-7-13-19-33)56-45(50)41-29(2)21-35(23-37(41)48)57-46(51)42-30(3)43(54-26-32-16-10-6-11-17-32)39(24-38(42)52-4)53-25-31-14-8-5-9-15-31/h5-24,47-48H,25-27H2,1-4H3
InChIKey HIMOMIHYDVVSKV-UHFFFAOYSA-N
Mol Weight 768.8 g/mol
Molecular Formula C46H40O11
Exact Mass 768.257062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NjESB6xaIM
Name Benzoic acid, 2-hydroxy-4-[[6-methoxy-2-methyl-3,4-bis(phenylmethoxy)benzoyl]oxy]-6-methyl-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester
Alternate Name(s) 4-({4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenoxy}carbonyl)-3-hydroxy-5-methylphenyl 3,4-bis(benzyloxy)-6-methoxy-2-methylbenzoate Benzyl 4,5-di-O-benzyl-2-O-methylhiascate Benzyl 6-methyl-4-[2'-methyl-4'-{2''-methoxy-4'',5''-bis(benzyloxy)-6''-methylbenzoyl}oxy-6'-hydroxybenzoyl]oxy]-2-hydroxybenzoate
CAS Registry Number 125287-13-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H40O11
InChI InChI=1S/C46H40O11/c1-28-20-34(22-36(47)40(28)44(49)55-27-33-18-12-7-13-19-33)56-45(50)41-29(2)21-35(23-37(41)48)57-46(51)42-30(3)43(54-26-32-16-10-6-11-17-32)39(24-38(42)52-4)53-25-31-14-8-5-9-15-31/h5-24,47-48H,25-27H2,1-4H3
InChIKey HIMOMIHYDVVSKV-UHFFFAOYSA-N
Molecular Weight 768.815 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(c(c1)C)C(OCc1ccccc1)=O)O)=O)C)OC(c1c(c(OCc2ccccc2)c(cc1OC)OCc1ccccc1)C)=O
SPLASH splash10-0006-9020000000-ba9a309b329bfc529e59
Source of Spectrum B-42-1425-12
Wiley ID 1416688