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CA2+_COMPLEX_OF_ANNONACIN

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CA2+_COMPLEX_OF_ANNONACIN
SpectraBase Compound ID L4jGncptqYV
InChI InChI=1S/C35H64O7.Ca/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40;/h25,27,29-34,36-39H,3-24,26H2,1-2H3;/q;+2
InChIKey LALWBKWYEULCFB-UHFFFAOYSA-N
Mol Weight 637.0 g/mol
Molecular Formula C35H64CaO7
Exact Mass 636.427795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iz7eGjXO2gu
Name CA2+_COMPLEX_OF_ANNONACIN
Compound Number 1-CA2+
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H64CaO7
InChI InChI=1S/C35H64O7.Ca/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40;/h25,27,29-34,36-39H,3-24,26H2,1-2H3;/q;+2
InChIKey LALWBKWYEULCFB-UHFFFAOYSA-N
Literature Reference Author J.F.PEYRAT,J.MAHUTEAU,B.FIGADERE,A.CAVE
Literature Reference Citation J.ORG.CHEM.,62,4811(1997)
Literature Reference DOI 10.1021/jo962031b
Molecular Weight 636.969 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ4368