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benzyl 3-(4-benzyloxy-2-hydroxy-6-propylbenzoyloxy)-6-hydroxy-4-methoxy-2-pentylbenzoate
SpectraBase Compound ID 9Eh3bw7DWCS
InChI InChI=1S/C37H40O8/c1-4-6-9-19-29-34(36(40)44-24-26-17-12-8-13-18-26)31(39)22-32(42-3)35(29)45-37(41)33-27(14-5-2)20-28(21-30(33)38)43-23-25-15-10-7-11-16-25/h7-8,10-13,15-18,20-22,38-39H,4-6,9,14,19,23-24H2,1-3H3
InChIKey AAVCHFVPYWFCBK-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C37H40O8
Exact Mass 612.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHenc5dLXIc
Name benzyl 3-(4-benzyloxy-2-hydroxy-6-propylbenzoyloxy)-6-hydroxy-4-methoxy-2-pentylbenzoate
Alternate Name(s) (phenylmethyl) 4-methoxy-6-oxidanyl-3-(2-oxidanyl-4-phenylmethoxy-6-propyl-phenyl)carbonyloxy-2-pentyl-benzoate 2-Amyl-3-(4-benzoxy-2-hydroxy-6-propyl-benzoyl)oxy-6-hydroxy-4-methoxy-benzoic acid benzyl ester 6-Hydroxy-3-[(2-hydroxy-4-phenylmethoxy-6-propylphenyl)-oxomethoxy]-4-methoxy-2-pentylbenzoic acid (phenylmethyl) ester benzyl 6-hydroxy-3-(2-hydroxy-4-phenylmethoxy-6-propylbenzoyl)oxy-4-methoxy-2-pentylbenzoate
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Formula C37H40O8
InChI InChI=1S/C37H40O8/c1-4-6-9-19-29-34(36(40)44-24-26-17-12-8-13-18-26)31(39)22-32(42-3)35(29)45-37(41)33-27(14-5-2)20-28(21-30(33)38)43-23-25-15-10-7-11-16-25/h7-8,10-13,15-18,20-22,38-39H,4-6,9,14,19,23-24H2,1-3H3
InChIKey AAVCHFVPYWFCBK-UHFFFAOYSA-N
Molecular Weight 612.719 g/mol
SMILES Oc1c(C(Oc2c(c(c(cc2OC)O)C(OCc2ccccc2)=O)CCCCC)=O)c(cc(c1)OCc1ccccc1)CCC
SPLASH splash10-000f-9083002000-6c94c52933e78016859d
Source of Spectrum JA-50-1101-0
Wiley ID 1411077