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LAGUNAMIDE_B
SpectraBase Compound ID 2sDMyos8i7S
InChI InChI=1S/C45H69N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h15,17-22,26,28,30-32,34-35,37-39,51H,14,16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b27-15+,29-22+/t26-,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1
InChIKey AEOXIHQSVQNFCU-PCOXENEKSA-N
Mol Weight 840.1 g/mol
Molecular Formula C45H69N5O10
Exact Mass 839.504443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvzBILBrfIM
Name LAGUNAMIDE_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H69N5O10
InChI InChI=1S/C45H69N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h15,17-22,26,28,30-32,34-35,37-39,51H,14,16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b27-15+,29-22+/t26-,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1
InChIKey AEOXIHQSVQNFCU-PCOXENEKSA-N
Literature Reference Author A.TRIPATHI,J.PUDDICK,M.R.PRINSEP,M.ROTTMANN,L.T.TAN
Literature Reference Citation J.NAT.PROD.,73,1810(2010)
Literature Reference DOI 10.1021/np100442x
Molecular Weight 840.070 g/mol
Sample ID 36157
Solvent CD3OD