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PICCONIOSIDE-V-PENTAACETATE
SpectraBase Compound ID 6fBWySrUR37
InChI InChI=1S/C37H52O17/c1-18(13-14-46-21(4)38)11-10-12-19(2)34(43)52-28-15-26-27(35(44)45-9)16-48-36(30(26)20(28)3)54-37-33(51-25(8)42)32(50-24(7)41)31(49-23(6)40)29(53-37)17-47-22(5)39/h12,16,18,20,26,28-33,36-37H,10-11,13-15,17H2,1-9H3/b19-12+/t18?,20-,26?,28-,29-,30?,31-,32+,33-,36-,37+/m0/s1
InChIKey CCKCAGJEPSFBIK-LWHQMIQOSA-N
Mol Weight 768.8 g/mol
Molecular Formula C37H52O17
Exact Mass 768.32045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CdwI4iFzhk
Name PICCONIOSIDE-V-PENTAACETATE
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52O17
InChI InChI=1S/C37H52O17/c1-18(13-14-46-21(4)38)11-10-12-19(2)34(43)52-28-15-26-27(35(44)45-9)16-48-36(30(26)20(28)3)54-37-33(51-25(8)42)32(50-24(7)41)31(49-23(6)40)29(53-37)17-47-22(5)39/h12,16,18,20,26,28-33,36-37H,10-11,13-15,17H2,1-9H3/b19-12+/t18?,20-,26?,28-,29-,30?,31-,32+,33-,36-,37+/m0/s1
InChIKey CCKCAGJEPSFBIK-LWHQMIQOSA-N
Literature Reference Author S.DAMTOFT,H.FRANZYK,S.R.JENSEN
Literature Reference Citation PHYTOCHEM.,45,743(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00023-X
Molecular Weight 768.810 g/mol
Solvent CDCl3
Source File Reference UWSP1537