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(3S*,4R*)-4-[(R*)-1,3-Benzodioxol-5-yl(benzyloxy)methyl]-3-[(R*,S*)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]dihydrofuran-2(3H)-one
SpectraBase Compound ID AP6QyexrRsA
InChI InChI=1S/C29H30O9/c1-32-23-12-19(13-24(33-2)28(23)34-3)26(30)25-20(15-36-29(25)31)27(35-14-17-7-5-4-6-8-17)18-9-10-21-22(11-18)38-16-37-21/h4-13,20,25-27,30H,14-16H2,1-3H3/t20-,25-,26-,27-/m0/s1
InChIKey DGTVTFUYNCYOSY-YQMHAVPBSA-N
Mol Weight 522.55 g/mol
Molecular Formula C29H30O9
Exact Mass 522.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCXjL47Z1g0
Name (3S*,4R*)-4-[(R*)-1,3-Benzodioxol-5-yl(benzyloxy)methyl]-3-[(R*,S*)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]dihydrofuran-2(3H)-one
Alternate Name(s) (3S,4R)-4-[(R)-1,3-benzodioxol-5-yl(benzyloxy)methyl]-3-[(R)-hydroxy(3,4,5-trimethoxyphenyl)methyl]dihydro-2(3H)-furanone
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Formula C29H30O9
InChI InChI=1S/C29H30O9/c1-32-23-12-19(13-24(33-2)28(23)34-3)26(30)25-20(15-36-29(25)31)27(35-14-17-7-5-4-6-8-17)18-9-10-21-22(11-18)38-16-37-21/h4-13,20,25-27,30H,14-16H2,1-3H3/t20-,25-,26-,27-/m0/s1
InChIKey DGTVTFUYNCYOSY-YQMHAVPBSA-N
Molecular Weight 522.550 g/mol
SMILES O[C@@](c1cc(OC)c(c(c1)OC)OC)([C@@]1([C@@]([C@](c2cc3OCOc3cc2)(OCc2ccccc2)[H])(COC1=O)[H])[H])[H]
SPLASH splash10-0a4i-0090960000-38dac5373e89d167d516
Source of Spectrum F-62-3011-14
Wiley ID 1632757