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3'-O-(8''-Z-CAFFEOYL)-ROSMARINIC-ACID
SpectraBase Compound ID 1ykTzqB8bLO
InChI InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12+/t24-/m1/s1
InChIKey HFTLCJIFEZUOCR-MOBFUUNNSA-N
Mol Weight 538.46 g/mol
Molecular Formula C27H22O12
Exact Mass 538.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWNO0ckEauN
Name 3'-O-(8''-Z-CAFFEOYL)-ROSMARINIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O12
InChI InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12+/t24-/m1/s1
InChIKey HFTLCJIFEZUOCR-MOBFUUNNSA-N
Literature Reference Author A.DAPKEVICIUS,T.A.VANBEEK,G.P.LELYVELD,A.VANVELDHUIZEN,A.DEG ROOT,J.P.H.LINSSEN,R
Literature Reference Citation J.NAT.PROD.,65,892(2002)
Literature Reference DOI 10.1021/np010636j
Molecular Weight 538.464 g/mol
Solvent CD3OD
Source File Reference UWSI6069