John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4u7abbqInTV SpectraBase Spectrum ID=11Nvx13MavQ

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COMBRETANONE_E
SpectraBase Compound ID 4u7abbqInTV
InChI InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1
InChIKey DYFQGNVJYMAFHT-XPZPHRGNSA-N
Mol Weight 470.7 g/mol
Molecular Formula C31H50O3
Exact Mass 470.375996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11Nvx13MavQ
Name COMBRETANONE_E
Compound Number 5
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O3
InChI InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1
InChIKey DYFQGNVJYMAFHT-XPZPHRGNSA-N
Literature Reference Author K.TOUME,T.NAKAZAWA,T.OHTSUKI,M.A.ARAI,T.KOYANO,T.KOWITHAYAKO RN,M.ISHIBASHI
Literature Reference Citation J.NAT.PROD.,74,249(2011)
Literature Reference DOI 10.1021/np100784t
Molecular Weight 470.736 g/mol
Sample ID 37495
Solvent CDCl3
SpectraBase Batch ID 56S5FrNAUYM