2(3H)-Furanone, 4-[1,3-benzodioxol-5-yl(benzoyloxy)methyl]dihydro-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-

SpectraBase Compound ID	9jToFlk7a74
InChI	InChI=1S/C29H28O10/c1-33-22-12-18(13-23(34-2)27(22)35-3)25(30)24-19(14-36-29(24)32)26(39-28(31)16-7-5-4-6-8-16)17-9-10-20-21(11-17)38-15-37-20/h4-13,19,24-26,30H,14-15H2,1-3H3
InChIKey	XIWJUFOWNSNMLL-UHFFFAOYSA-N Google Search
Mol Weight	536.53 g/mol
Molecular Formula	C29H28O10
Exact Mass	536.168247 g/mol

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SpectraBase Spectrum ID	K3NTS95iqUh
Name	2(3H)-Furanone, 4-[1,3-benzodioxol-5-yl(benzoyloxy)methyl]dihydro-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	536.168247092 u
Formula	C29H28O10
InChI	InChI=1S/C29H28O10/c1-33-22-12-18(13-23(34-2)27(22)35-3)25(30)24-19(14-36-29(24)32)26(39-28(31)16-7-5-4-6-8-16)17-9-10-20-21(11-17)38-15-37-20/h4-13,19,24-26,30H,14-15H2,1-3H3
InChIKey	XIWJUFOWNSNMLL-UHFFFAOYSA-N
Molecular Weight	536.533 g/mol
SMILES	C1(C(C(OC(=O)C=2C=CC=CC2)C=2C=C3OCOC3=CC2)COC1=O)C(C=1C=C(OC)C(=C(C1)OC)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.924456