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CARTERIOSULFONIC_ACID_C
SpectraBase Compound ID Ci3zstkNO0L
InChI InChI=1S/C34H65NO10S/c1-3-4-5-13-16-19-29(36)20-17-14-11-9-7-6-8-10-12-15-18-21-34(41)45-28(2)26-31(38)32(39)27-30(37)22-23-33(40)35-24-25-46(42,43)44/h16,19,28-32,36-39H,3-15,17-18,20-27H2,1-2H3,(H,35,40)(H,42,43,44)/p-1/b19-16+/t28?,29?,30-,31+,32-/m1/s1
InChIKey LCMJGVARRXLCMN-SWWCHEGGSA-M
Mol Weight 678.9 g/mol
Molecular Formula C34H64NO10S
Exact Mass 678.425093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64rn1vOK0dv
Name CARTERIOSULFONIC_ACID_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H64NO10S
InChI InChI=1S/C34H65NO10S/c1-3-4-5-13-16-19-29(36)20-17-14-11-9-7-6-8-10-12-15-18-21-34(41)45-28(2)26-31(38)32(39)27-30(37)22-23-33(40)35-24-25-46(42,43)44/h16,19,28-32,36-39H,3-15,17-18,20-27H2,1-2H3,(H,35,40)(H,42,43,44)/p-1/b19-16+/t28?,29?,30-,31+,32-/m1/s1
InChIKey LCMJGVARRXLCMN-SWWCHEGGSA-M
Literature Reference Author M.W.B.MCCULLOCH,T.S.BUGNI,G.P.CONCEPSION,G.S.COOMBS,M.K.HARP ER,S.KAUR,G.C.MANGAL
Literature Reference Citation J.NAT.PROD.,72,1651(2009)
Literature Reference DOI 10.1021/np900336f
Molecular Weight 678.943 g/mol
Sample ID 33544
Solvent DMSO-D6