John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FNolf9AFv2o SpectraBase Spectrum ID=1iWvYJYqxQf

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MONOLASALOCID_CALCIUM_SALT
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iWvYJYqxQf
Name MONOLASALOCID_CALCIUM_SALT
Copyright Copyright © 2016-2021 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
SpectraBase Batch ID GHOYpdmsf2w