| SpectraBase Compound ID | IiaJLKcpblA |
|---|---|
| InChI | InChI=1S/2C34H54O8.Ca/c2*1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h2*13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;;+2/p-2/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;19-,21-,22+,23-,25+,26?,28+,31-,33+,34-;/m01./s1 |
| InChIKey | OBJSBFDMUPRKNL-LTSGRGKKSA-L |
| Mol Weight | 1219.7 g/mol |
| Molecular Formula | C68H106CaO16 |
| Exact Mass | 1218.710678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KV7PQ8KwFJu |
|---|---|
| Name | DILASALOCID_CALCIUM_SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H106CaO16 |
| InChI | InChI=1S/2C34H54O8.Ca/c2*1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h2*13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;;+2/p-2/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;19-,21-,22+,23-,25+,26?,28+,31-,33+,34-;/m01./s1 |
| InChIKey | OBJSBFDMUPRKNL-LTSGRGKKSA-L |
| Literature Reference Author | M.MIMOUNI,P.MALFREYT,R.LYAZGHI,M.PALMA,Y.PASCAL,G.DAUPHIN,J. JUILLARD |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1939(1995) |
| Literature Reference DOI | 10.1039/p29950001939 |
| Molecular Weight | 1219.660 g/mol |
| Solvent | CD3OD |