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(-)-(3S,4R,5R)-3-(3",4",5"-Trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)butyroactone
SpectraBase Compound ID 4oP51x1YYgE
InChI InChI=1S/C22H24O9/c1-26-16-7-12(8-17(27-2)21(16)28-3)20(24)18-13(9-29-22(18)25)19(23)11-4-5-14-15(6-11)31-10-30-14/h4-8,13,18-20,23-24H,9-10H2,1-3H3/t13-,18-,19?,20-/m0/s1
InChIKey IUQAOLCJCWDLOD-LPEXSWTISA-N
Mol Weight 432.43 g/mol
Molecular Formula C22H24O9
Exact Mass 432.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPLE1ZRhWYn
Name (-)-(3S,4R,5R)-3-(3",4",5"-Trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)butyroactone
Alternate Name(s) (-)-(3S,4R,5R)-3-(3'',4'',5''-Trimethoxy-.alpha.-hydroxybenzyl)-4-(3',4'-methylenedioxy-.alpha.-hydroxybenzyl)butyroactone (3S,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-oxolanone (3S,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one (3S,4R)-4-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3-[(R)-oxidanyl-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
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Formula C22H24O9
InChI InChI=1S/C22H24O9/c1-26-16-7-12(8-17(27-2)21(16)28-3)20(24)18-13(9-29-22(18)25)19(23)11-4-5-14-15(6-11)31-10-30-14/h4-8,13,18-20,23-24H,9-10H2,1-3H3/t13-,18-,19?,20-/m0/s1
InChIKey IUQAOLCJCWDLOD-LPEXSWTISA-N
Molecular Weight 432.425 g/mol
SMILES OC([C@@]1([C@@]([C@](c2cc(OC)c(c(c2)OC)OC)(O)[H])(C(OC1)=O)[H])[H])c1cc2OCOc2cc1
SPLASH splash10-0udj-0900000000-6675d799b9115e097bdb
Source of Spectrum F-50-10837-13
Wiley ID 789389