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KANSUININ-E;3-BETA,5-ALPHA,7-BETA,15-BETA-TETRAACETOXY-8-ALPHA-BENZOYLOXY-9-ALPHA-NICOTINOYLOXY-11-ALPHA,12-BETA-EPOXYJATROPHA-6(17)-EN-14-ONE
SpectraBase Compound ID F0i7kwf25UH
InChI InChI=1S/C41H47NO14/c1-20-18-41(56-26(7)46)29(30(20)50-23(4)43)31(51-24(5)44)21(2)32(52-25(6)45)34(54-38(48)27-14-11-10-12-15-27)37(55-39(49)28-16-13-17-42-19-28)40(8,9)36-33(53-36)22(3)35(41)47/h10-17,19-20,22,29-34,36-37H,2,18H2,1,3-9H3/t20-,22+,29+,30-,31-,32-,33+,34+,36-,37+,41+/m0/s1
InChIKey ILKUUGNKCOAKED-DUCZBVBTSA-N
Mol Weight 777.8 g/mol
Molecular Formula C41H47NO14
Exact Mass 777.299655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIS4hkKmr5A
Name KANSUININ-E;3-BETA,5-ALPHA,7-BETA,15-BETA-TETRAACETOXY-8-ALPHA-BENZOYLOXY-9-ALPHA-NICOTINOYLOXY-11-ALPHA,12-BETA-EPOXYJATROPHA-6(17)-EN-14-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H47NO14
InChI InChI=1S/C41H47NO14/c1-20-18-41(56-26(7)46)29(30(20)50-23(4)43)31(51-24(5)44)21(2)32(52-25(6)45)34(54-38(48)27-14-11-10-12-15-27)37(55-39(49)28-16-13-17-42-19-28)40(8,9)36-33(53-36)22(3)35(41)47/h10-17,19-20,22,29-34,36-37H,2,18H2,1,3-9H3/t20-,22+,29+,30-,31-,32-,33+,34+,36-,37+,41+/m0/s1
InChIKey ILKUUGNKCOAKED-DUCZBVBTSA-N
Literature Reference Author Q.PAN,F.C.IP,N.Y.IP,H.X.ZHU,Z.D.MIN
Literature Reference Citation J.NAT.PROD.,67,1548(2004)
Literature Reference DOI 10.1021/np030541c
Molecular Weight 777.822 g/mol
Solvent C5D5N
Source File Reference UWMZ8103