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3,4-DIHYDROXYPHENETHYL-ALCOHOL-3-O-(2'-O-BETA-APIOFURANOSYL)-BETA-GLUCOPYRANOSIDE-PERACETATE
SpectraBase Compound ID CJzJAI7L4sF
InChI InChI=1S/C35H44O20/c1-17(36)44-12-11-25-9-10-26(27(13-25)48-20(4)39)52-33-31(30(50-22(6)41)29(49-21(5)40)28(53-33)14-45-18(2)37)54-34-32(51-23(7)42)35(16-47-34,55-24(8)43)15-46-19(3)38/h9-10,13,28-34H,11-12,14-16H2,1-8H3/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
InChIKey HEVXQEYIBNZCDL-JMHHFLAESA-N
Mol Weight 784.7 g/mol
Molecular Formula C35H44O20
Exact Mass 784.242594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTBBq8jwN7a
Name 3,4-DIHYDROXYPHENETHYL-ALCOHOL-3-O-(2'-O-BETA-APIOFURANOSYL)-BETA-GLUCOPYRANOSIDE-PERACETATE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O20
InChI InChI=1S/C35H44O20/c1-17(36)44-12-11-25-9-10-26(27(13-25)48-20(4)39)52-33-31(30(50-22(6)41)29(49-21(5)40)28(53-33)14-45-18(2)37)54-34-32(51-23(7)42)35(16-47-34,55-24(8)43)15-46-19(3)38/h9-10,13,28-34H,11-12,14-16H2,1-8H3/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
InChIKey HEVXQEYIBNZCDL-JMHHFLAESA-N
Literature Reference Author H.KIJIMA,T.IDE,H.OTSUKA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA
Literature Reference Citation PHYTOCHEM.,44,1551(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00760-1
Molecular Weight 784.722 g/mol
Solvent CDCl3
Source File Reference UWAN115