John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FkbuZjH3oU6 SpectraBase Spectrum ID=1Kni777c3NM

(accessed ).
CUCURBITACIN_J_2-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID FkbuZjH3oU6
InChI InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20+,21+,22+,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1
InChIKey XPEAYHKXEWXAKV-CECKEHLVSA-N
Mol Weight 694.8 g/mol
Molecular Formula C36H54O13
Exact Mass 694.356442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Kni777c3NM
Name CUCURBITACIN_J_2-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O13
InChI InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20+,21+,22+,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1
InChIKey XPEAYHKXEWXAKV-CECKEHLVSA-N
Literature Reference Author M.GAN,M.LIU,B.LIU,S.LIN,Y.ZHANG,J.ZI,W.SONG,F.YE,X.CHEN,J.SH I
Literature Reference Citation J.NAT.PROD.,74,2431(2011)
Literature Reference DOI 10.1021/np200706n
Molecular Weight 694.817 g/mol
Sample ID 39561
Solvent DMSO-D6
SpectraBase Batch ID Kv0DMtr5qlG