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Nonactine
SpectraBase Compound ID DM2jAgzzjpK
InChI InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34+,35?,36?/m1/s1
InChIKey RMIXHJPMNBXMBU-OPBHKSKXSA-N
Mol Weight 736.9 g/mol
Molecular Formula C40H64O12
Exact Mass 736.439777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH79Sb5efrN
Name NONACTINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H64O12
InChI InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34+,35?,36?/m1/s1
InChIKey RMIXHJPMNBXMBU-OPBHKSKXSA-N
Literature Reference Author E.PRETSCH,M.VASAK,W.SIMON
Literature Reference Citation HELV.CHIM.ACTA,55,1098(1972)
Literature Reference DOI 10.1002/hlca.19720550405
Molecular Weight 736.941 g/mol
Solvent CDCl3
Source File Reference UNIW20933