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10-PARA-CIS-COUMAROYL-1-S-DIHYDROMONOTROPEIN
SpectraBase Compound ID E1nf2BbePLL
InChI InChI=1S/C25H30O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-6,10,14,16,18-21,23-24,26-27,29-31,34H,7-9,11H2,(H,32,33)/b6-3-/t14-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1
InChIKey DQMJTGHIDOKZGT-GWKDYYKPSA-N
Mol Weight 538.5 g/mol
Molecular Formula C25H30O13
Exact Mass 538.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63lmmsE0rwk
Name 10-PARA-CIS-COUMAROYL-1-S-DIHYDROMONOTROPEIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O13
InChI InChI=1S/C25H30O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-6,10,14,16,18-21,23-24,26-27,29-31,34H,7-9,11H2,(H,32,33)/b6-3-/t14-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1
InChIKey DQMJTGHIDOKZGT-GWKDYYKPSA-N
Literature Reference Author A.TURNER,S.N.CHEN,D.NIKOLIC,R.VANBREEMEN,N.R.FARNSWORTH,G.F. PAULI
Literature Reference Citation J.NAT.PROD.,70,253(2007)
Literature Reference DOI 10.1021/np060260f
Molecular Weight 538.505 g/mol
Sample ID 29647
Solvent D2O