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PD-118,576-A1
SpectraBase Compound ID HZcbqXiU6P1
InChI InChI=1S/C37H56O12/c1-20-12-11-13-28(45-9)35(48-36(43)29(46-10)18-21(2)17-23(4)33(41)22(3)16-20)25(6)34(42)26(7)37(44)19-30(24(5)27(8)49-37)47-32(40)15-14-31(38)39/h11-15,17-18,22-28,30,33-35,41-42,44H,16,19H2,1-10H3,(H,38,39)/b13-11+,15-14+,20-12+,21-17-,29-18-
InChIKey CDQPAZYLCCBGFZ-WVLVHOEHSA-N
Mol Weight 692.8 g/mol
Molecular Formula C37H56O12
Exact Mass 692.377177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxMyhqZYOa9
Name PD-118,576-A1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56O12
InChI InChI=1S/C37H56O12/c1-20-12-11-13-28(45-9)35(48-36(43)29(46-10)18-21(2)17-23(4)33(41)22(3)16-20)25(6)34(42)26(7)37(44)19-30(24(5)27(8)49-37)47-32(40)15-14-31(38)39/h11-15,17-18,22-28,30,33-35,41-42,44H,16,19H2,1-10H3,(H,38,39)/b13-11+,15-14+,20-12+,21-17-,29-18-
InChIKey CDQPAZYLCCBGFZ-WVLVHOEHSA-N
Literature Reference Author G.M.HATFIELD,R.W.WOODARD,J.K.SON
Literature Reference Citation J.NAT.PROD.,55,753(1992)
Literature Reference DOI 10.1021/np50084a008
Molecular Weight 692.844 g/mol
Solvent CDCl3
Source File Reference UWTS612