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2-[(6-[1,3]Dioxolan-2-yl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-pent-4-enoic acid tert-butyl ester
SpectraBase Compound ID F9VfwcfNTgA
InChI InChI=1S/C29H36O9/c1-8-9-18(27(30)38-29(2,3)4)25(17-12-23(31-5)26(33-7)24(13-17)32-6)19-14-21-22(37-16-36-21)15-20(19)28-34-10-11-35-28/h8,12-15,18,25,28H,1,9-11,16H2,2-7H3/t18?,25-/m0/s1
InChIKey IHUKWBXNYCCNOX-LYIYLXCWSA-N
Mol Weight 528.6 g/mol
Molecular Formula C29H36O9
Exact Mass 528.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVaCYXWeIzR
Name 2-[(6-[1,3]Dioxolan-2-yl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-pent-4-enoic acid tert-butyl ester
Alternate Name(s) tert-Butyl 2-((R)-(6-(1,3-dioxolan-2-yl)benzo[d][1,3]dioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)pent-4-enoate
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Formula C29H36O9
InChI InChI=1S/C29H36O9/c1-8-9-18(27(30)38-29(2,3)4)25(17-12-23(31-5)26(33-7)24(13-17)32-6)19-14-21-22(37-16-36-21)15-20(19)28-34-10-11-35-28/h8,12-15,18,25,28H,1,9-11,16H2,2-7H3/t18?,25-/m0/s1
InChIKey IHUKWBXNYCCNOX-LYIYLXCWSA-N
Molecular Weight 528.598 g/mol
SMILES c1c(c(C2OCCO2)cc2c1OCO2)[C@@](c1cc(c(c(c1)OC)OC)OC)(C(CC=C)C(=O)OC(C)(C)C)[H]
SPLASH splash10-01bc-0419200000-e5784b3b65b162237c91
Source of Spectrum A1-9-1199/SM3-5
Wiley ID 1757918