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OLEANOLIC-ACID-3-O-(3',3'-TETRAMETHYLENE)-GLUTARATE
SpectraBase Compound ID 6Cl406tN3hP
InChI InChI=1S/C39H60O6/c1-33(2)18-20-39(32(43)44)21-19-36(6)25(26(39)22-33)10-11-28-35(5)16-13-29(34(3,4)27(35)12-17-37(28,36)7)45-31(42)24-38(23-30(40)41)14-8-9-15-38/h10,26-29H,8-9,11-24H2,1-7H3,(H,40,41)(H,43,44)/t26-,27-,28+,29-,35-,36+,37+,39-/m0/s1
InChIKey KUKJBUDDNZVCSS-LPVMMHRSSA-N
Mol Weight 624.9 g/mol
Molecular Formula C39H60O6
Exact Mass 624.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFhmWS8rxAa
Name OLEANOLIC-ACID-3-O-(3',3'-TETRAMETHYLENE)-GLUTARATE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H60O6
InChI InChI=1S/C39H60O6/c1-33(2)18-20-39(32(43)44)21-19-36(6)25(26(39)22-33)10-11-28-35(5)16-13-29(34(3,4)27(35)12-17-37(28,36)7)45-31(42)24-38(23-30(40)41)14-8-9-15-38/h10,26-29H,8-9,11-24H2,1-7H3,(H,40,41)(H,43,44)/t26-,27-,28+,29-,35-,36+,37+,39-/m0/s1
InChIKey KUKJBUDDNZVCSS-LPVMMHRSSA-N
Literature Reference Author Y.KASHIWADA,H.K.WANG,T.NAGAO,S.KITANAKA,I.YASUDA,T.FUJIOKA,T .YAMAGISHI,L.M.COSEN
Literature Reference Citation J.NAT.PROD.,61,1090(1998)
Literature Reference DOI 10.1021/np9800710
Molecular Weight 624.902 g/mol
Solvent CDCl3
Source File Reference UWCP2121