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2(S*)-[.alpha.(S*)-Hydroxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
SpectraBase Compound ID EZPecPRn0ju
InChI InChI=1S/C21H20O8/c1-25-14-5-3-12(7-16(14)26-2)20(23)18-13(9-27-21(18)24)19(22)11-4-6-15-17(8-11)29-10-28-15/h3-8,13,18,20,23H,9-10H2,1-2H3/t13-,18+,20-/m1/s1
InChIKey ANIOWRBWNPIAAM-ORPRQENYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdjEzHcTClS
Name 2(S*)-[.alpha.(S*)-Hydroxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
Alternate Name(s) (3S,4S)-4-(1,3-benzodioxol-5-ylcarbonyl)-3-[(3,4-dimethoxyphenyl)(hydroxy)methyl]dihydro-2(3H)-furanone
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Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-25-14-5-3-12(7-16(14)26-2)20(23)18-13(9-27-21(18)24)19(22)11-4-6-15-17(8-11)29-10-28-15/h3-8,13,18,20,23H,9-10H2,1-2H3/t13-,18+,20-/m1/s1
InChIKey ANIOWRBWNPIAAM-ORPRQENYSA-N
Molecular Weight 400.383 g/mol
SMILES O[C@@]([C@@]1([C@](C(c2cc3OCOc3cc2)=O)(COC1=O)[H])[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-00kb-0910000000-e7c10c0d10353ab80b05
Source of Spectrum J-60-1151-5
Wiley ID 1369336