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(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)oxolan-2-one
SpectraBase Compound ID C2G5hEZA8M0
InChI InChI=1S/C22H22O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19H,6,10-11H2,1-3H3/t14-,19-/m0/s1
InChIKey GRVRZDFAOUAREI-LIRRHRJNSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyxtBfs1N50
Name (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)oxolan-2-one
Alternate Name(s) (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)tetrahydrofuran-2-one (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)carbonyl-oxolan-2-one (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone (3S,4R)-4-piperonyl-3-(3,4,5-trimethoxybenzoyl)tetrahydrofuran-2-one
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-17-8-13(9-18(26-2)21(17)27-3)20(23)19-14(10-28-22(19)24)6-12-4-5-15-16(7-12)30-11-29-15/h4-5,7-9,14,19H,6,10-11H2,1-3H3/t14-,19-/m0/s1
InChIKey GRVRZDFAOUAREI-LIRRHRJNSA-N
Molecular Weight 414.410 g/mol
SMILES [C@@]1(C(c2cc(OC)c(c(c2)OC)OC)=O)(C(OC[C@@]1(Cc1cc2OCOc2cc1)[H])=O)[H]
SPLASH splash10-03dj-0900100000-68c104c53a33bb50ab48
Source of Spectrum X2-57-798-16
Wiley ID 1605465