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14-Acetoxy-16-acetoxymethyl-16-ethoxycarbonylmet hyl-16-hydroxy-18-isopimaranoic acid, methyl ester
SpectraBase Compound ID BUeNv18OgGR
InChI InChI=1S/C30H48O9/c1-8-37-24(33)16-30(35,18-38-19(2)31)17-27(4)15-12-22-21(25(27)39-20(3)32)10-11-23-28(22,5)13-9-14-29(23,6)26(34)36-7/h21-23,25,35H,8-18H2,1-7H3
InChIKey LJKDHPRONSEPFQ-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C30H48O9
Exact Mass 552.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AM2Jdx9XrqA
Name 14-Acetoxy-16-acetoxymethyl-16-ethoxycarbonylmet hyl-16-hydroxy-18-isopimaranoic acid, methyl ester
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Formula C30H48O9
InChI InChI=1S/C30H48O9/c1-8-37-24(33)16-30(35,18-38-19(2)31)17-27(4)15-12-22-21(25(27)39-20(3)32)10-11-23-28(22,5)13-9-14-29(23,6)26(34)36-7/h21-23,25,35H,8-18H2,1-7H3
InChIKey LJKDHPRONSEPFQ-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference A. San Feliciano, M. Medarde, F. Tome, Magn. Res. Chem. 27, 1166 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3