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CIS-APRATOXIN_E;MINOR_ISOMER
SpectraBase Compound ID 9ZyRGcl0G5Z
InChI InChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12-/t27-,28+,29+,31+,33+,34+,35+,38+/m1/s1
InChIKey RDPZVJUUVDDQSB-AMKGPFRNSA-N
Mol Weight 796.1 g/mol
Molecular Formula C43H65N5O7S
Exact Mass 795.460471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpyEqZs9Wfp
Name CIS-APRATOXIN_E;MINOR_ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H65N5O7S
InChI InChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12-/t27-,28+,29+,31+,33+,34+,35+,38+/m1/s1
InChIKey RDPZVJUUVDDQSB-AMKGPFRNSA-N
Literature Reference Author S.MATTHEW,P.J.SCHUPP,H.LUESCH
Literature Reference Citation J.NAT.PROD.,71,1113(2008)
Literature Reference DOI 10.1021/np700717s
Molecular Weight 796.078 g/mol
Sample ID 28631
Solvent C6D6