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(3S*,4S*,5R*)-3-Hydroxy-3-[3,4-(methylenedioxy)benzyl]-4-[[(methoxymethyl)oxy]methyl]-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone

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(3S*,4S*,5R*)-3-Hydroxy-3-[3,4-(methylenedioxy)benzyl]-4-[[(methoxymethyl)oxy]methyl]-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
SpectraBase Compound ID DJMpbcHXFBK
InChI InChI=1S/C23H26O9/c1-26-12-29-11-16-21(15-5-7-17(27-2)19(9-15)28-3)32-22(24)23(16,25)10-14-4-6-18-20(8-14)31-13-30-18/h4-9,16,21,25H,10-13H2,1-3H3/t16-,21-,23-/m0/s1
InChIKey QHTBIASWJVENHI-YROCYRMSSA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzHSe1LdKMS
Name (3S*,4S*,5R*)-3-Hydroxy-3-[3,4-(methylenedioxy)benzyl]-4-[[(methoxymethyl)oxy]methyl]-5-(3,4-dimethoxyphenyl]-.gamma.-butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.157682408 u
Formula C23H26O9
InChI InChI=1S/C23H26O9/c1-26-12-29-11-16-21(15-5-7-17(27-2)19(9-15)28-3)32-22(24)23(16,25)10-14-4-6-18-20(8-14)31-13-30-18/h4-9,16,21,25H,10-13H2,1-3H3/t16-,21-,23-/m0/s1
InChIKey QHTBIASWJVENHI-YROCYRMSSA-N
Molecular Weight 446.452 g/mol
SMILES [C@]1(C(O[C@]([C@@]1(COCOC)[H])(C1=CC(OC)=C(C=C1)OC)[H])=O)(CC=1C=C2OCOC2=CC1)O