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NEOHALICHONDRAMIDE;MAJOR-ISOMER

View entire compound with spectra: 2 NMR

NEOHALICHONDRAMIDE;MAJOR-ISOMER
SpectraBase Compound ID uqprRwJWTy
InChI InChI=1S/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,14,17,20,23-31,37-39,42,50H,9,13,15-16,18-19,21-22H2,1-8H3/b14-11-,17-10+,20-12+
InChIKey WVEACYJDWUEKPP-VWTXATKISA-N
Mol Weight 837.0 g/mol
Molecular Formula C44H60N4O12
Exact Mass 836.420773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3BPRjRp0CI
Name NEOHALICHONDRAMIDE;MINOR-ISOMER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60N4O12
InChI InChI=1S/C44H60N4O12/c1-27-13-9-10-17-40-45-33(24-57-40)43-47-34(25-59-43)44-46-32(23-58-44)42(56-8)30(4)35(51)15-11-14-31(50)21-41(53)60-39(27)22-38(55-7)28(2)18-19-36(52)29(3)37(54-6)16-12-20-48(5)26-49/h10-12,14,17,20,23-31,37-39,42,50H,9,13,15-16,18-19,21-22H2,1-8H3/b14-11-,17-10+,20-12+
InChIKey WVEACYJDWUEKPP-VWTXATKISA-N
Literature Reference Author J.SHIN,H.S.LEE,J.Y.KIM,H.J.SHIN,J.W.AHN,V.J.PAUL
Literature Reference Citation J.NAT.PROD.,67,1889(2004)
Literature Reference DOI 10.1021/np040124f
Molecular Weight 836.980 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ6742