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CAUDATOSIDE-A-PENTAACETATE
SpectraBase Compound ID H3GqFEf1ydM
InChI InChI=1S/C36H42O17/c1-17-27-28(31(29(17)47-19(3)38)52-26(42)14-13-23-11-9-8-10-12-23)24(34(43)44-7)15-46-35(27)53-36-33(50-22(6)41)32(49-21(5)40)30(48-20(4)39)25(51-36)16-45-18(2)37/h8-15,17,25,27-33,35-36H,16H2,1-7H3/b14-13+/t17-,25+,27+,28+,29+,30+,31-,32-,33+,35-,36-/m1/s1
InChIKey ULSLXILQJZFRQD-OMBBCZSDSA-N
Mol Weight 746.7 g/mol
Molecular Formula C36H42O17
Exact Mass 746.2422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LD1hgZBTtLb
Name CAUDATOSIDE-A-PENTAACETATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O17
InChI InChI=1S/C36H42O17/c1-17-27-28(31(29(17)47-19(3)38)52-26(42)14-13-23-11-9-8-10-12-23)24(34(43)44-7)15-46-35(27)53-36-33(50-22(6)41)32(49-21(5)40)30(48-20(4)39)25(51-36)16-45-18(2)37/h8-15,17,25,27-33,35-36H,16H2,1-7H3/b14-13+/t17-,25+,27+,28+,29+,30+,31-,32-,33+,35-,36-/m1/s1
InChIKey ULSLXILQJZFRQD-OMBBCZSDSA-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 746.719 g/mol
Solvent CDCl3
Source File Reference UWSI7208