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(3R*,4R*)-3-[3,4-(Methylenedioxy)benzyl]-4-[(.alpha.S)-.alpha.-hydroxy-(3,4-dimethoxybenzyl]-.gamma.-butyrolactone
SpectraBase Compound ID 8v4VzbdjD85
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)11-21(23)15(10-20(22)28-21)7-13-3-6-17-19(8-13)27-12-26-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21+/m1/s1
InChIKey CMVPSPFBNXGWPX-VFNWGFHPSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTQls6x0Y0n
Name (3R*,4R*)-3-[3,4-(Methylenedioxy)benzyl]-4-[(.alpha.S)-.alpha.-hydroxy-(3,4-dimethoxybenzyl]-.gamma.-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-24-16-5-4-14(9-18(16)25-2)11-21(23)15(10-20(22)28-21)7-13-3-6-17-19(8-13)27-12-26-17/h3-6,8-9,15,23H,7,10-12H2,1-2H3/t15-,21+/m1/s1
InChIKey CMVPSPFBNXGWPX-VFNWGFHPSA-N
Molecular Weight 386.400 g/mol
SMILES O[C@]1(OC(=O)C[C@]1(Cc1cc2OCOc2cc1)[H])Cc1cc(OC)c(cc1)OC
SPLASH splash10-014r-0901000000-31fca31d08ad8563eeb4
Source of Spectrum J-61-6929-11
Synonyms (4R,5S)-4-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxybenzyl)-5-hydroxydihydro-2(3H)-furanone
Wiley ID 1362614