John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1qMbtBqFjqP SpectraBase Spectrum ID=2aiEDwsX8w

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CIPATRIJUGIN_C
SpectraBase Compound ID 1qMbtBqFjqP
InChI InChI=1S/C31H38O11/c1-16-30(41-18(3)33)15-28(6)25(19-9-10-38-14-19)40-24(35)13-31(16,28)42-22-12-21(39-17(2)32)27(4,5)20(11-23(34)37-8)29(22,7)26(30)36/h9-10,14,20-22,25H,1,11-13,15H2,2-8H3/t20-,21+,22-,25-,28-,29+,30+,31-/m0/s1
InChIKey VBUVTRXWAVCMCB-YAVIGIRXSA-N
Mol Weight 586.6 g/mol
Molecular Formula C31H38O11
Exact Mass 586.241412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aiEDwsX8w
Name CIPATRIJUGIN_C
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O11
InChI InChI=1S/C31H38O11/c1-16-30(41-18(3)33)15-28(6)25(19-9-10-38-14-19)40-24(35)13-31(16,28)42-22-12-21(39-17(2)32)27(4,5)20(11-23(34)37-8)29(22,7)26(30)36/h9-10,14,20-22,25H,1,11-13,15H2,2-8H3/t20-,21+,22-,25-,28-,29+,30+,31-/m0/s1
InChIKey VBUVTRXWAVCMCB-YAVIGIRXSA-N
Literature Reference Author Y.T.DI,H.P.HE,H.Y.LIU,P.YI,Z.ZHANG,Y.L.REN,J.S.WANG,Q.Y.SUN, F.M.YANG,X.FANG,S.L.
Literature Reference Citation J.NAT.PROD.,70,1352(2007)
Literature Reference DOI 10.1021/np0700624
Molecular Weight 586.636 g/mol
Sample ID 31483
Solvent CDCl3:CD3OD=9:1
SpectraBase Batch ID 7OT2GJrgIZe