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

*Links on SpectraBase are not permalinks.

[(2S,3S,4AR,6S,7S,8S,8AS)-8-(BENZOYLOXY)-6,7-DIHYDROXY-2-OXO-2,3-DIMETHOXY-2,3-DIMETHYLOCTAHYDROBENZO-[B]-[1,4]-DIOXIN-6-YL]-METHYL-BENZOATE

View entire compound with spectra: 1 NMR

[(2S,3S,4AR,6S,7S,8S,8AS)-8-(BENZOYLOXY)-6,7-DIHYDROXY-2-OXO-2,3-DIMETHOXY-2,3-DIMETHYLOCTAHYDROBENZO-[B]-[1,4]-DIOXIN-6-YL]-METHYL-BENZOATE
SpectraBase Compound ID 9YRUOgC32N5
InChI InChI=1S/C28H30O11/c1-26(32-3)27(2,33-4)38-20-19(37-26)15-28(16-34-23(29)17-11-7-5-8-12-17)22(36-25(31)39-28)21(20)35-24(30)18-13-9-6-10-14-18/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22+,26+,27-,28+/m1/s1
InChIKey ZEIQYLQMOIETIU-FXICURFUSA-N
Mol Weight 542.54 g/mol
Molecular Formula C28H30O11
Exact Mass 542.178812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6VrLL6Wrwwo
Name [(2S,3S,4AR,6S,7S,8S,8AS)-8-(BENZOYLOXY)-6,7-DIHYDROXY-2-OXO-2,3-DIMETHOXY-2,3-DIMETHYLOCTAHYDROBENZO-[B]-[1,4]-DIOXIN-6-YL]-METHYL-BENZOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O11
InChI InChI=1S/C28H30O11/c1-26(32-3)27(2,33-4)38-20-19(37-26)15-28(16-34-23(29)17-11-7-5-8-12-17)22(36-25(31)39-28)21(20)35-24(30)18-13-9-6-10-14-18/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22+,26+,27-,28+/m1/s1
InChIKey ZEIQYLQMOIETIU-FXICURFUSA-N
Literature Reference Author Y.ZHANG,A.LIU,Z.G.YE,J.LIN,L.Z.XU,S.L.YANG
Literature Reference Citation CHEM.PHARM.BULL.,54,1459(2006)
Literature Reference DOI 10.1248/cpb.54.1459
Molecular Weight 542.540 g/mol
Sample ID 55307
Solvent CDCl3