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28-O-TRANS-CAFFEOYL-3-BETA,28-DIHYDROXY-20(29)-LUPEN-27-OIC-ACID
SpectraBase Compound ID 9kxlZ7qYiBX
InChI InChI=1S/C39H54O7/c1-23(2)25-13-18-38(22-46-32(43)12-8-24-7-10-27(40)28(41)21-24)19-20-39(34(44)45)26(33(25)38)9-11-30-36(5)16-15-31(42)35(3,4)29(36)14-17-37(30,39)6/h7-8,10,12,21,25-26,29-31,33,40-42H,1,9,11,13-20,22H2,2-6H3,(H,44,45)/b12-8+/t25-,26?,29?,30?,31-,33?,36?,37?,38+,39+/m0/s1
InChIKey JWNURLALZKIWDF-HDCSGKJUSA-N
Mol Weight 634.9 g/mol
Molecular Formula C39H54O7
Exact Mass 634.386954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIiAgbuIgOv
Name 28-O-TRANS-CAFFEOYL-3-BETA,28-DIHYDROXY-20(29)-LUPEN-27-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H54O7
InChI InChI=1S/C39H54O7/c1-23(2)25-13-18-38(22-46-32(43)12-8-24-7-10-27(40)28(41)21-24)19-20-39(34(44)45)26(33(25)38)9-11-30-36(5)16-15-31(42)35(3,4)29(36)14-17-37(30,39)6/h7-8,10,12,21,25-26,29-31,33,40-42H,1,9,11,13-20,22H2,2-6H3,(H,44,45)/b12-8+/t25-,26?,29?,30?,31-,33?,36?,37?,38+,39+/m0/s1
InChIKey JWNURLALZKIWDF-HDCSGKJUSA-N
Literature Reference Author Z.H.JIANG,T.TANAKA,I.KOUNO
Literature Reference Citation PHYTOCHEM.,40,1223(1995)
Literature Reference DOI 10.1016/0031-9422(95)00412-Z
Molecular Weight 634.854 g/mol
Solvent CD3OD
Source File Reference UWMS2815