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PLATENCIN_SL1;ENT-COPALYL-15,19-DICARBOXYLIC_ACID;ENT-AGATHIC_ACID
SpectraBase Compound ID Dgukrr8lbqH
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m1/s1
InChIKey QYCOHMYDSOZCQD-PMTPZQICSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImXbNlUqzWj
Name PLATENCIN_SL1;ENT-COPALYL-15,19-DICARBOXYLIC_ACID;ENT-AGATHIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m1/s1
InChIKey QYCOHMYDSOZCQD-PMTPZQICSA-N
Literature Reference Author M.J.SMANSKI,J.CASPER,R.M.PETERSON,Z.YU,S.R.RAJSKI,B.SHEN
Literature Reference Citation J.NAT.PROD.,75,2158(2012)
Literature Reference DOI 10.1021/np3005985
Molecular Weight 334.456 g/mol
Sample ID 42068
Solvent C5D5N