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CALLICARPIC_ACID_A;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC_ACID

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CALLICARPIC_ACID_A;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC_ACID
SpectraBase Compound ID 4iK4QL67vJG
InChI InChI=1S/C20H30O2/c1-13(2)15-6-9-18-16(12-15)7-8-17(14(3)4)20(18,5)11-10-19(21)22/h7,12-13,17-18H,3,6,8-11H2,1-2,4-5H3,(H,21,22)/t17-,18-,20-/m0/s1
InChIKey YJZGFOZCXWCRQH-BJLQDIEVSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2xBBDO9U45
Name CALLICARPIC_ACID_A;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-PROPANOIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)15-6-9-18-16(12-15)7-8-17(14(3)4)20(18,5)11-10-19(21)22/h7,12-13,17-18H,3,6,8-11H2,1-2,4-5H3,(H,21,22)/t17-,18-,20-/m0/s1
InChIKey YJZGFOZCXWCRQH-BJLQDIEVSA-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 302.457 g/mol
Sample ID 32168
Solvent CDCl3