For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
Mol Weight 536.53 g/mol
Molecular Formula C29H28O10
Exact Mass 536.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IztT9ubx5Ec
Name 2(3H)-Furanone, 4-[1,3-benzodioxol-5-yl(benzoyloxy)methyl]dihydro-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-
CAS Registry Number 118826-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(c1cc(OC)c(c(c1)OC)OC)C1C(C(OC(=O)c2ccccc2)c2cc3OCOc3cc2)COC1=O
SPLASH splash10-0a4i-0911000000-b003b8b01b7fad3ae006
Source of Spectrum KC-1988-1612-28
Synonyms 3-(.alpha.-benzoyloxy-3'',4''-methylenedioxybenzyl)-2-.alpha.-hydroxy-3',4',5'-trimethoxybenzyl)-.gamma.-butyrolactone
Wiley ID 1404074