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Benzoic acid, 3-[[2,4-bis(phenylmethoxy)-6-propylbenzoyl]oxy]-2-hydroxy-4-methoxy-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID 6kLfmmAkEga
InChI InChI=1S/C44H46O8/c1-4-6-10-24-35-26-38(48-3)42(41(45)40(35)43(46)51-30-33-22-15-9-16-23-33)52-44(47)39-34(17-5-2)25-36(49-28-31-18-11-7-12-19-31)27-37(39)50-29-32-20-13-8-14-21-32/h7-9,11-16,18-23,25-27,45H,4-6,10,17,24,28-30H2,1-3H3
InChIKey MCDVQVAWGZNGAH-UHFFFAOYSA-N
Mol Weight 702.8 g/mol
Molecular Formula C44H46O8
Exact Mass 702.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8caOwtlIdrD
Name Benzoic acid, 3-[[2,4-bis(phenylmethoxy)-6-propylbenzoyl]oxy]-2-hydroxy-4-methoxy-6-pentyl-, phenylmethyl ester
CAS Registry Number 104847-71-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46O8
InChI InChI=1S/C44H46O8/c1-4-6-10-24-35-26-38(48-3)42(41(45)40(35)43(46)51-30-33-22-15-9-16-23-33)52-44(47)39-34(17-5-2)25-36(49-28-31-18-11-7-12-19-31)27-37(39)50-29-32-20-13-8-14-21-32/h7-9,11-16,18-23,25-27,45H,4-6,10,17,24,28-30H2,1-3H3
InChIKey MCDVQVAWGZNGAH-UHFFFAOYSA-N
Molecular Weight 702.844 g/mol
SMILES Oc1c(OC(c2c(cc(cc2CCC)OCc2ccccc2)OCc2ccccc2)=O)c(cc(c1C(OCc1ccccc1)=O)CCCCC)OC
SPLASH splash10-0006-9000000000-233248d5db7680d96e82
Source of Spectrum B-39-230-17
Synonyms 1-Hydroxy-2-benzyloxycarbonyl-5-pentyl-5-methoxy-6-((2,4-benzyloxy-6-propyl-phenyl)-carbonyloxy)-benzene Benzyl 2,4-di-O-benzyl-4'-O-methylnorhomosekikaiate benzyl 3-{[2,4-bis(benzyloxy)-6-propylbenzoyl]oxy}-2-hydroxy-4-methoxy-6-pentylbenzoate
Wiley ID 1415108