John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1075rs2vpln SpectraBase Spectrum ID=D3adUuUEWha

(accessed ).
10-CIS-(PARA-COUMAROYLOXY)-2',3',4',6',4''-O-PENTAACETYLOLEOSIDE-DIMETHYLESTER
SpectraBase Compound ID 1075rs2vpln
InChI InChI=1S/C37H42O19/c1-19(38)49-18-29-32(52-21(3)40)33(53-22(4)41)34(54-23(5)42)37(55-29)56-36-26(27(16-31(44)46-6)28(17-50-36)35(45)47-7)14-15-48-30(43)13-10-24-8-11-25(12-9-24)51-20(2)39/h8-14,17,27,29,32-34,36-37H,15-16,18H2,1-7H3/b13-10-,26-14-/t27?,29-,32-,33+,34-,36+,37+/m0/s1
InChIKey XRGNPFADPKIKQB-PMUOELMHSA-N
Mol Weight 790.7 g/mol
Molecular Formula C37H42O19
Exact Mass 790.23203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3adUuUEWha
Name 10-CIS-(PARA-COUMAROYLOXY)-2',3',4',6',4''-O-PENTAACETYLOLEOSIDE-DIMETHYLESTER
Compound Number 2D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H42O19
InChI InChI=1S/C37H42O19/c1-19(38)49-18-29-32(52-21(3)40)33(53-22(4)41)34(54-23(5)42)37(55-29)56-36-26(27(16-31(44)46-6)28(17-50-36)35(45)47-7)14-15-48-30(43)13-10-24-8-11-25(12-9-24)51-20(2)39/h8-14,17,27,29,32-34,36-37H,15-16,18H2,1-7H3/b13-10-,26-14-/t27?,29-,32-,33+,34-,36+,37+/m0/s1
InChIKey XRGNPFADPKIKQB-PMUOELMHSA-N
Literature Reference Author H.LOPEZ,J.A.PEREZ,J.M.HERNANDEZ,J.TRUJILLO
Literature Reference Citation J.NAT.PROD.,60,1334(1997)
Literature Reference DOI 10.1021/np970272o
Molecular Weight 790.729 g/mol
Solvent CDCl3
Source File Reference WANG2449
SpectraBase Batch ID Hj4hW9PjqLS