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2-{3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-{4-[2-(2-methoxyphenyloxy-1,3-dihydroxypropyl)-1,3-dimethoxyphenyl]oxy}-5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-1,3-dimethoxybenzene peracetate
SpectraBase Compound ID IRVP6D9P86J
InChI InChI=1S/C58H66O23/c1-32(59)72-29-51(78-43-20-16-14-18-41(43)65-7)55(76-36(5)63)39-25-47(68-10)57(48(26-39)69-11)80-53(31-74-34(3)61)54(38-22-23-45(75-35(4)62)46(24-38)67-9)81-58-49(70-12)27-40(28-50(58)71-13)56(77-37(6)64)52(30-73-33(2)60)79-44-21-17-15-19-42(44)66-8/h14-28,51-56H,29-31H2,1-13H3
InChIKey MZYVVWQOMRWQRW-UHFFFAOYSA-N
Mol Weight 1131.1 g/mol
Molecular Formula C58H66O23
Exact Mass 1130.399488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEELhjGapHk
Name 2-{3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-{4-[2-(2-methoxyphenyloxy-1,3-dihydroxypropyl)-1,3-dimethoxyphenyl]oxy}-5-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-1,3-dimethoxybenzene peracetate
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Formula C58H66O23
InChI InChI=1S/C58H66O23/c1-32(59)72-29-51(78-43-20-16-14-18-41(43)65-7)55(76-36(5)63)39-25-47(68-10)57(48(26-39)69-11)80-53(31-74-34(3)61)54(38-22-23-45(75-35(4)62)46(24-38)67-9)81-58-49(70-12)27-40(28-50(58)71-13)56(77-37(6)64)52(30-73-33(2)60)79-44-21-17-15-19-42(44)66-8/h14-28,51-56H,29-31H2,1-13H3
InChIKey MZYVVWQOMRWQRW-UHFFFAOYSA-N
Molecular Weight 1131.143 g/mol
SMILES c1(OC(C(Oc2c(cc(cc2OC)C(C(Oc2c(OC)cccc2)COC(=O)C)OC(=O)C)OC)c2cc(OC)c(cc2)OC(=O)C)COC(=O)C)c(cc(cc1OC)C(C(Oc1c(OC)cccc1)COC(=O)C)OC(=O)C)OC
SPLASH splash10-0171-0000097000-cfadf3e195fabd439aae
Source of Spectrum KC-0-3428-11
Synonyms Acetic acid [3-(4-acetyloxy-3-methoxyphenyl)-2,3-bis[4-[1,3-diacetyloxy-2-(2-methoxyphenoxy)propyl]-2,6-dimethoxyphenoxy]propyl] ester [3-(4-acetyloxy-3-methoxyphenyl)-2,3-bis[4-[1,3-diacetyloxy-2-(2-methoxyphenoxy)propyl]-2,6-dimethoxyphenoxy]propyl] acetate [3-(4-acetoxy-3-methoxy-phenyl)-2,3-bis[4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]-2,6-dimethoxy-phenoxy]propyl] acetate [3-(4-acetyloxy-3-methoxy-phenyl)-2,3-bis[4-[1,3-diacetyloxy-2-(2-methoxyphenoxy)propyl]-2,6-dimethoxy-phenoxy]propyl] ethanoate
Wiley ID 826885