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OLEANOLIC-ACID-3-O-(3',3'-DIMETHYL)-GLUTARATE
SpectraBase Compound ID Gty77SuEJZK
InChI InChI=1S/C37H58O6/c1-31(2)16-18-37(30(41)42)19-17-35(8)23(24(37)20-31)10-11-26-34(7)14-13-27(33(5,6)25(34)12-15-36(26,35)9)43-29(40)22-32(3,4)21-28(38)39/h10,24-27H,11-22H2,1-9H3,(H,38,39)(H,41,42)/t24-,25-,26+,27-,34-,35+,36+,37-/m0/s1
InChIKey RRSVWLBREHQZBN-MINDXIOPSA-N
Mol Weight 598.9 g/mol
Molecular Formula C37H58O6
Exact Mass 598.42334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AELfDdtuu6q
Name OLEANOLIC-ACID-3-O-(3',3'-DIMETHYL)-GLUTARATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H58O6
InChI InChI=1S/C37H58O6/c1-31(2)16-18-37(30(41)42)19-17-35(8)23(24(37)20-31)10-11-26-34(7)14-13-27(33(5,6)25(34)12-15-36(26,35)9)43-29(40)22-32(3,4)21-28(38)39/h10,24-27H,11-22H2,1-9H3,(H,38,39)(H,41,42)/t24-,25-,26+,27-,34-,35+,36+,37-/m0/s1
InChIKey RRSVWLBREHQZBN-MINDXIOPSA-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 598.864 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP2114