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Benzoic acid, 2-hydroxy-4-methoxy-3-[[2-methoxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID 57nzRaO73pN
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-32(37(45-4)35(24-30)46-26-28-17-13-9-14-18-28)39(42)48-38-31(22-12-8-6-2)36(33(41)25-34(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey MQYIUULTOIBAAM-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C40H46O8
Exact Mass 654.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOr0qWpGCGb
Name Benzoic acid, 2-hydroxy-4-methoxy-3-[[2-methoxy-6-pentyl-4-(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
Alternate Name(s) 1-hydroxy-2-benzyloxycarbonyl-3-pentyl-5-methoxy-((2-methoxy-3-benzyloxy-5-pentyl-phenyl)-carbonyloxy)-benzene 1-Hydroxy-2-bezyloxycarbonyl-3-pentyl-5-methoxy-((2-methoxy-3-benzyloxy-5-pentyl-phenyl)-carbonyloxy)-benzene benzyl 3-{[3-(benzyloxy)-2-methoxy-5-pentylbenzoyl]oxy}-6-hydroxy-4-methoxy-2-pentylbenzoate Benzyl 4-O-benzyl-4'-O-cryptochlorophaeiate
CAS Registry Number 104847-73-6
Comments Less than 3 mono-isotopic peaks
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Formula C40H46O8
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-32(37(45-4)35(24-30)46-26-28-17-13-9-14-18-28)39(42)48-38-31(22-12-8-6-2)36(33(41)25-34(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey MQYIUULTOIBAAM-UHFFFAOYSA-N
Molecular Weight 654.800 g/mol
SMILES Oc1cc(c(c(c1C(OCc1ccccc1)=O)CCCCC)OC(c1c(c(OCc2ccccc2)cc(c1)CCCCC)OC)=O)OC
SPLASH splash10-0006-9000000000-9cafe3ddbd74f3e6dae6
Source of Spectrum B-39-231-19
Wiley ID 1413315