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CAUDATOSIDE-D-HEXAACETATE
SpectraBase Compound ID Cidj7ueiwoD
InChI InChI=1S/C38H44O19/c1-17-29-30(33(52-21(5)42)31(17)56-28(45)14-11-24-9-12-25(13-10-24)50-19(3)40)26(36(46)47-8)15-49-37(29)57-38-35(54-23(7)44)34(53-22(6)43)32(51-20(4)41)27(55-38)16-48-18(2)39/h9-15,17,27,29-35,37-38H,16H2,1-8H3/b14-11+/t17-,27+,29+,30+,31+,32+,33-,34-,35+,37-,38-/m1/s1
InChIKey NGJDSDQGDYEFBL-DKCUCDBESA-N
Mol Weight 804.8 g/mol
Molecular Formula C38H44O19
Exact Mass 804.247679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lbob4ZldPso
Name CAUDATOSIDE-D-HEXAACETATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O19
InChI InChI=1S/C38H44O19/c1-17-29-30(33(52-21(5)42)31(17)56-28(45)14-11-24-9-12-25(13-10-24)50-19(3)40)26(36(46)47-8)15-49-37(29)57-38-35(54-23(7)44)34(53-22(6)43)32(51-20(4)41)27(55-38)16-48-18(2)39/h9-15,17,27,29-35,37-38H,16H2,1-8H3/b14-11+/t17-,27+,29+,30+,31+,32+,33-,34-,35+,37-,38-/m1/s1
InChIKey NGJDSDQGDYEFBL-DKCUCDBESA-N
Literature Reference Author S.AYERS,A.T.SNEDEN
Literature Reference Citation J.NAT.PROD.,65,1621(2002)
Literature Reference DOI 10.1021/np020211c
Molecular Weight 804.756 g/mol
Solvent CDCl3
Source File Reference UWSI7211