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2(S*)-[.alpha.(S*)-Hydroxy-3,4-dimethoxybenzyl]-3(S*)-[.alpha.(R*)-hydroxy-3,4-(methylenedioxy)benzyl]butyrolactone
SpectraBase Compound ID or0xIyub4M
InChI InChI=1S/C21H22O8/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/h3-8,13,18-20,22-23H,9-10H2,1-2H3/t13-,18+,19+,20-/m1/s1
InChIKey FRICVMNKEUYOFO-HOLAOCEGSA-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 2LqKVJUvT5l
Name 2(S*)-[.alpha.(S*)-Hydroxy-3,4-dimethoxybenzyl]-3(S*)-[.alpha.(R*)-hydroxy-3,4-(methylenedioxy)benzyl]butyrolactone
Alternate Name(s) (3S,4S)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-[(3,4-dimethoxyphenyl)(hydroxy)methyl]dihydro-2(3H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/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/h3-8,13,18-20,22-23H,9-10H2,1-2H3/t13-,18+,19+,20-/m1/s1
InChIKey FRICVMNKEUYOFO-HOLAOCEGSA-N
Molecular Weight 402.399 g/mol
SMILES O[C@]([C@]1([C@@]([C@@](c2cc(OC)c(cc2)OC)(O)[H])(C(OC1)=O)[H])[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0uxr-0901000000-928565590d6bedcbf90c
Source of Spectrum J-60-1152-6
Wiley ID 1370303