| SpectraBase Compound ID | FNolf9AFv2o |
|---|---|
| InChI | InChI=1S/C34H54O8.Ca/c1-9-25(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;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+2/p-1/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;/m0./s1 |
| InChIKey | NLAUNHDQCSGFIC-QDUQUNNBSA-M |
| Mol Weight | 629.9 g/mol |
| Molecular Formula | C34H53CaO8 |
| Exact Mass | 629.336635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1iWvYJYqxQf |
|---|---|
| Name | MONOLASALOCID_CALCIUM_SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53CaO8 |
| InChI | InChI=1S/C34H54O8.Ca/c1-9-25(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;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+2/p-1/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;/m0./s1 |
| InChIKey | NLAUNHDQCSGFIC-QDUQUNNBSA-M |
| 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 | 629.870 g/mol |
| Solvent | CD3OD |