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(3S*,4R*)-3-Hydroxy-3-(3,4-methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-hydroxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone
SpectraBase Compound ID DhHGpoIMqa6
InChI InChI=1S/C21H22O8/c1-25-14-6-4-13(8-16(14)26-2)19(23)20-21(24,10-18(22)29-20)9-12-3-5-15-17(7-12)28-11-27-15/h3-8,19-20,23-24H,9-11H2,1-2H3/t19-,20+,21-/m0/s1
InChIKey SBZVCIXUXDJQCW-HBMCJLEFSA-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 5qOsv0htZ9S
Name (3S*,4R*)-3-Hydroxy-3-(3,4-methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-hydroxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-25-14-6-4-13(8-16(14)26-2)19(23)20-21(24,10-18(22)29-20)9-12-3-5-15-17(7-12)28-11-27-15/h3-8,19-20,23-24H,9-11H2,1-2H3/t19-,20+,21-/m0/s1
InChIKey SBZVCIXUXDJQCW-HBMCJLEFSA-N
Molecular Weight 402.399 g/mol
SMILES O[C@]([C@@]1([C@@](CC(O1)=O)(Cc1cc2c(OCO2)cc1)O)[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-000i-0901200000-8ef1ea7481817016ffd8
Source of Spectrum PS-0-2750-3
Wiley ID 786847