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OLEANOLIC-ACID-3-BETA-CAFFEATE
SpectraBase Compound ID 2AABQbzo0U7
InChI InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1
InChIKey OJEUMHQEAMVIBI-YWDNYDSNSA-N
Mol Weight 618.9 g/mol
Molecular Formula C39H54O6
Exact Mass 618.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBB3Sg0sx5r
Name OLEANOLIC-ACID-3-BETA-CAFFEATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H54O6
InChI InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29+,30-,31+,36+,37-,38-,39+/m1/s1
InChIKey OJEUMHQEAMVIBI-YWDNYDSNSA-N
Literature Reference Author H.PAN,L.N.LUNDGREN,R.ANDERSSON
Literature Reference Citation PHYTOCHEM.,37,795(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90360-1
Molecular Weight 618.854 g/mol
Solvent ACETONE-D6
Source File Reference UWLU23469