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Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
SpectraBase Compound ID Duj69IkUFuv
InChI InChI=1S/C34H38O10/c1-4-9-25(35)15-23-16-27(19-29(37)30(23)32(38)41-21-22-10-7-6-8-11-22)44-33(39)31-24(17-26(40-3)18-28(31)36)20-34(12-5-2)42-13-14-43-34/h6-8,10-11,16-19,36-37H,4-5,9,12-15,20-21H2,1-3H3
InChIKey ZLRVEXGTBUNRJH-UHFFFAOYSA-N
Mol Weight 606.7 g/mol
Molecular Formula C34H38O10
Exact Mass 606.246497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ge7bP27lUfq
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxopentyl)phenyl 2-hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoate Benzyl 2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(2''-propyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-6-(2-oxopentyl)benzoate Benzyl glomellate ethylene acetal
CAS Registry Number 127743-46-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38O10
InChI InChI=1S/C34H38O10/c1-4-9-25(35)15-23-16-27(19-29(37)30(23)32(38)41-21-22-10-7-6-8-11-22)44-33(39)31-24(17-26(40-3)18-28(31)36)20-34(12-5-2)42-13-14-43-34/h6-8,10-11,16-19,36-37H,4-5,9,12-15,20-21H2,1-3H3
InChIKey ZLRVEXGTBUNRJH-UHFFFAOYSA-N
Molecular Weight 606.668 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC2(OCCO2)CCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCC
SPLASH splash10-014i-0900000000-18771876b768b1f2791f
Source of Spectrum B-42-1979-35
Wiley ID 1410607