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PINETORIC_ACID_I

View entire compound with spectra: 1 NMR

PINETORIC_ACID_I
SpectraBase Compound ID 8bcQMsfYMM6
InChI InChI=1S/C23H30O6/c1-6-7-8-14(11-16(24)25)17-20(27)18-19(26)12(2)13(3)28-21(18)15-9-10-23(4,5)29-22(15)17/h9-10,12-14,27H,6-8,11H2,1-5H3,(H,24,25)/t12-,13-,14?/m1/s1
InChIKey UXMDQRKTSNQRJU-ZFXTZCCVSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3WfJOOuYQ0
Name PINETORIC_ACID_I
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/c1-6-7-8-14(11-16(24)25)17-20(27)18-19(26)12(2)13(3)28-21(18)15-9-10-23(4,5)29-22(15)17/h9-10,12-14,27H,6-8,11H2,1-5H3,(H,24,25)/t12-,13-,14?/m1/s1
InChIKey UXMDQRKTSNQRJU-ZFXTZCCVSA-N
Literature Reference Author A.B.ALARCON,O.CUESTA-RUBIO,J.C.PEREZ,A.L.PICCINELLI,L.RASTRE LLI
Literature Reference Citation J.NAT.PROD.,71,1283(2008)
Literature Reference DOI 10.1021/np800079c
Molecular Weight 402.488 g/mol
Sample ID 28753
Solvent CDCl3