John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=43tFvKhbCZL SpectraBase Spectrum ID=2vlt6oasTBG

(accessed ).
RUPESTIN_A;CYCLIC_3''->9':6''->9-[(7'-S,8'-R)-4,4'-DIHYDROXY-3,5-DIMETHOXY-2,7'-CYCLOLIGNA-7-ENE-9,9'-DICARBONYL]-6'''-ACETYLSUCROSIDE
SpectraBase Compound ID 43tFvKhbCZL
InChI InChI=1S/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20+,21-,23-,24-,26+,27+,28-,30-,33-,34-/m0/s1
InChIKey SRNQCBWVXAEHOG-PWGBLVBESA-N
Mol Weight 734.7 g/mol
Molecular Formula C34H38O18
Exact Mass 734.205815 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 2vlt6oasTBG
Name RUPESTIN_A;CYCLIC_3''->9':6''->9-[(7'-S,8'-R)-4,4'-DIHYDROXY-3,5-DIMETHOXY-2,7'-CYCLOLIGNA-7-ENE-9,9'-DICARBONYL]-6'''-ACETYLSUCROSIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38O18
InChI InChI=1S/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20+,21-,23-,24-,26+,27+,28-,30-,33-,34-/m0/s1
InChIKey SRNQCBWVXAEHOG-PWGBLVBESA-N
Literature Reference Author M.R.SUO,J.S.YANG,Q.H.LIU
Literature Reference Citation J.NAT.PROD.,69,682(2006)
Literature Reference DOI 10.1021/np050442u
Molecular Weight 734.665 g/mol
Solvent C5D5N
Source File Reference UWMZ18301
SpectraBase Batch ID A0MPdmcro3G