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SANGUINAMIDE_A
SpectraBase Compound ID HLPl1EgMrt4
InChI InChI=1S/C37H51N7O6S/c1-6-21(3)29-35-40-26(20-51-35)32(46)38-23(5)31(45)39-25(19-24-13-9-8-10-14-24)36(49)43-17-11-15-27(43)34(48)42-30(22(4)7-2)37(50)44-18-12-16-28(44)33(47)41-29/h8-10,13-14,20-23,25,27-30H,6-7,11-12,15-19H2,1-5H3,(H,38,46)(H,39,45)(H,41,47)(H,42,48)/t21?,22?,23-,25-,27-,28-,29-,30-/m0/s1
InChIKey WRYMAGLGOZIEQC-ISVNPZOTSA-N
Mol Weight 721.9 g/mol
Molecular Formula C37H51N7O6S
Exact Mass 721.362154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfUfp3RMBFc
Name SANGUINAMIDE_A
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H51N7O6S
InChI InChI=1S/C37H51N7O6S/c1-6-21(3)29-35-40-26(20-51-35)32(46)38-23(5)31(45)39-25(19-24-13-9-8-10-14-24)36(49)43-17-11-15-27(43)34(48)42-30(22(4)7-2)37(50)44-18-12-16-28(44)33(47)41-29/h8-10,13-14,20-23,25,27-30H,6-7,11-12,15-19H2,1-5H3,(H,38,46)(H,39,45)(H,41,47)(H,42,48)/t21?,22?,23-,25-,27-,28-,29-,30-/m0/s1
InChIKey WRYMAGLGOZIEQC-ISVNPZOTSA-N
Literature Reference Author D.S.DALISAY,E.W.ROGERS,A.S.EDISON,T.F.MOLINSKI
Literature Reference Citation J.NAT.PROD.,72,732(2009)
Literature Reference DOI 10.1021/np8007649
Molecular Weight 721.915 g/mol
Sample ID 32472
Solvent CDCl3