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CALLICARPIC_ACID_B;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-5,8-DIOXO-2-(PROP-1-EN-2-YL)-1,2,3,4,5,8-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC-ACID

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CALLICARPIC_ACID_B;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-5,8-DIOXO-2-(PROP-1-EN-2-YL)-1,2,3,4,5,8-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC-ACID
SpectraBase Compound ID CYZUfc1zLvO
InChI InChI=1S/C20H26O4/c1-11(2)14-10-16(21)18-13(19(14)24)6-7-15(12(3)4)20(18,5)9-8-17(22)23/h10-11,15H,3,6-9H2,1-2,4-5H3,(H,22,23)/t15-,20-/m0/s1
InChIKey GPJZKLLQWSDGSG-YWZLYKJASA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RnAuHlNDtK
Name CALLICARPIC_ACID_B;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-5,8-DIOXO-2-(PROP-1-EN-2-YL)-1,2,3,4,5,8-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-11(2)14-10-16(21)18-13(19(14)24)6-7-15(12(3)4)20(18,5)9-8-17(22)23/h10-11,15H,3,6-9H2,1-2,4-5H3,(H,22,23)/t15-,20-/m0/s1
InChIKey GPJZKLLQWSDGSG-YWZLYKJASA-N
Literature Reference Author J.J.CHEN,H.M.WU,C.F.PENG,I.S.CHEN,S.D.CHU
Literature Reference Citation J.NAT.PROD.,72,223(2009)
Literature Reference DOI 10.1021/np800721f
Molecular Weight 330.424 g/mol
Sample ID 32170
Solvent CDCl3