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KANSUININ-F;3-BETA,5-ALPHA,7-BETA,15-BETA-TETRAACETOXY-8-ALPHA,9-ALPHA-DIBENZOYLOXY-11-ALPHA,12-BETA-EPOXYJATROPHA-6(17)-EN-14-ONE
SpectraBase Compound ID EyLzsMq521k
InChI InChI=1S/C42H48O14/c1-21-20-42(56-27(7)46)30(31(21)50-24(4)43)32(51-25(5)44)22(2)33(52-26(6)45)35(54-39(48)28-16-12-10-13-17-28)38(55-40(49)29-18-14-11-15-19-29)41(8,9)37-34(53-37)23(3)36(42)47/h10-19,21,23,30-35,37-38H,2,20H2,1,3-9H3/t21-,23+,30+,31-,32-,33-,34+,35+,37-,38+,42+/m0/s1
InChIKey PJXPCKIXYVFTNT-HOZRDUKESA-N
Mol Weight 776.8 g/mol
Molecular Formula C42H48O14
Exact Mass 776.304406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TuQryNTtnf
Name KANSUININ-F;3-BETA,5-ALPHA,7-BETA,15-BETA-TETRAACETOXY-8-ALPHA,9-ALPHA-DIBENZOYLOXY-11-ALPHA,12-BETA-EPOXYJATROPHA-6(17)-EN-14-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O14
InChI InChI=1S/C42H48O14/c1-21-20-42(56-27(7)46)30(31(21)50-24(4)43)32(51-25(5)44)22(2)33(52-26(6)45)35(54-39(48)28-16-12-10-13-17-28)38(55-40(49)29-18-14-11-15-19-29)41(8,9)37-34(53-37)23(3)36(42)47/h10-19,21,23,30-35,37-38H,2,20H2,1,3-9H3/t21-,23+,30+,31-,32-,33-,34+,35+,37-,38+,42+/m0/s1
InChIKey PJXPCKIXYVFTNT-HOZRDUKESA-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 776.835 g/mol
Solvent CDCl3
Source File Reference UWMZ8101