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(3S*,4S*,5R*)-3-[3,4-(Methylenedioxy)benzyl]-4-(hydroxymethyl)-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
SpectraBase Compound ID ibXqLHQLGC
InChI InChI=1S/C21H22O7/c1-24-16-6-4-13(9-18(16)25-2)20-15(10-22)14(21(23)28-20)7-12-3-5-17-19(8-12)27-11-26-17/h3-6,8-9,14-15,20,22H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1
InChIKey VEBADBYSDAQDLW-SXGZJXTBSA-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 BKpmHcz6UUB
Name (3S*,4S*,5R*)-3-[3,4-(Methylenedioxy)benzyl]-4-(hydroxymethyl)-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-24-16-6-4-13(9-18(16)25-2)20-15(10-22)14(21(23)28-20)7-12-3-5-17-19(8-12)27-11-26-17/h3-6,8-9,14-15,20,22H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1
InChIKey VEBADBYSDAQDLW-SXGZJXTBSA-N
Molecular Weight 386.400 g/mol
SMILES OC[C@]1([C@@](OC([C@@]1(Cc1cc2OCOc2cc1)[H])=O)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-000o-0902000000-b83016f89f15d2a05ad3
Source of Spectrum J-61-6929-12
Wiley ID 1362613