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BENZYLALCOHOL-O-(2'-O-BETA-APIOFURANOSYL-6'-O-BETA-D-XYLOPYRANOSYL)-BETA-GLUCOPYRANOSIDE-PERACETATE
SpectraBase Compound ID ALm8Fu9X8Kg
InChI InChI=1S/C39H50O22/c1-19(40)51-17-39(61-26(8)47)18-52-38(35(39)58-25(7)46)60-34-32(56-23(5)44)30(54-21(3)42)29(59-37(34)48-14-27-12-10-9-11-13-27)16-50-36-33(57-24(6)45)31(55-22(4)43)28(15-49-36)53-20(2)41/h9-13,28-38H,14-18H2,1-8H3/t28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39-/m1/s1
InChIKey RXZXRNNHMAYANX-IRPPYMOCSA-N
Mol Weight 870.8 g/mol
Molecular Formula C39H50O22
Exact Mass 870.279373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61joeb8pQX4
Name BENZYLALCOHOL-O-(2'-O-BETA-APIOFURANOSYL-6'-O-BETA-D-XYLOPYRANOSYL)-BETA-GLUCOPYRANOSIDE-PERACETATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50O22
InChI InChI=1S/C39H50O22/c1-19(40)51-17-39(61-26(8)47)18-52-38(35(39)58-25(7)46)60-34-32(56-23(5)44)30(54-21(3)42)29(59-37(34)48-14-27-12-10-9-11-13-27)16-50-36-33(57-24(6)45)31(55-22(4)43)28(15-49-36)53-20(2)41/h9-13,28-38H,14-18H2,1-8H3/t28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39-/m1/s1
InChIKey RXZXRNNHMAYANX-IRPPYMOCSA-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 870.813 g/mol
Solvent CDCl3
Source File Reference UWAN113