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3-O-(CAFFEOYL)-ROSMARINIC-ACID-METHYLESTER

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3-O-(CAFFEOYL)-ROSMARINIC-ACID-METHYLESTER
SpectraBase Compound ID 4LTjyttWIpE
InChI InChI=1S/C28H24O12/c1-38-28(37)25(14-17-4-7-19(30)22(33)11-17)39-23-12-15(2-8-20(23)31)5-9-26(34)40-24(27(35)36)13-16-3-6-18(29)21(32)10-16/h2-12,14,24,29-33H,13H2,1H3,(H,35,36)/b9-5+,25-14-/t24-/m1/s1
InChIKey UJELHBDMWUGMOW-FOWWGYAWSA-N
Mol Weight 552.49 g/mol
Molecular Formula C28H24O12
Exact Mass 552.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MtA4TO3hI
Name 3-O-(CAFFEOYL)-ROSMARINIC-ACID-METHYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O12
InChI InChI=1S/C28H24O12/c1-38-28(37)25(14-17-4-7-19(30)22(33)11-17)39-23-12-15(2-8-20(23)31)5-9-26(34)40-24(27(35)36)13-16-3-6-18(29)21(32)10-16/h2-12,14,24,29-33H,13H2,1H3,(H,35,36)/b9-5+,25-14-/t24-/m1/s1
InChIKey UJELHBDMWUGMOW-FOWWGYAWSA-N
Literature Reference Author T.MURATA,M.WATAHIKI,Y.TANAKA,T.MIYASE,F.YOSHIZAKI
Literature Reference Citation CHEM.PHARM.BULL.,58,394(2010)
Literature Reference DOI 10.1248/cpb.58.394
Molecular Weight 552.491 g/mol
Sample ID 3421
Solvent ACETONE-D6