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TRANS-2-(4-HYDROXY-3,5-DIMETHOXYBENZYL)-3-(ALPHA-HYDROXY-3,4-METHYLENEDIOXYBENZYL)-BUTANOLIDE;EPIMER-#1
SpectraBase Compound ID 5gm9xFlGY8d
InChI InChI=1S/C21H22O8/c1-25-17-6-11(7-18(26-2)20(17)23)5-13-14(9-27-21(13)24)19(22)12-3-4-15-16(8-12)29-10-28-15/h3-4,6-8,13-14,19,22-23H,5,9-10H2,1-2H3/t13-,14+,19?/m1/s1
InChIKey GKLCKTAHWKLKNQ-YCENCERGSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK2u38kScgY
Name (3R,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-(4-hydroxy-3,5-dimethoxy-benzyl)tetrahydrofuran-2-one
Alternate Name(s) (3R,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]tetrahydrofuran-2-one (3R,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-oxolanone (3R,4R)-4-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one (3R,4R)-4-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one
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Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-25-17-6-11(7-18(26-2)20(17)23)5-13-14(9-27-21(13)24)19(22)12-3-4-15-16(8-12)29-10-28-15/h3-4,6-8,13-14,19,22-23H,5,9-10H2,1-2H3/t13-,14+,19?/m1/s1
InChIKey GKLCKTAHWKLKNQ-YCENCERGSA-N
Molecular Weight 402.399 g/mol
SMILES Oc1c(cc(C[C@@]2([C@@](C(c3cc4OCOc4cc3)O)(COC2=O)[H])[H])cc1OC)OC
SPLASH splash10-0uxr-0912300000-372fe8c8b500c4f3bc07
Source of Spectrum H1-43-2455-19
Wiley ID 758144