| SpectraBase Compound ID | A5wRA5d9O2o |
|---|---|
| InChI | InChI=1S/C36H56O6/c1-22(19-28(37)38)20-29(39)42-27-12-13-33(6)25(32(27,4)5)11-14-35(8)26(33)10-9-23-24-21-31(2,3)15-17-36(24,30(40)41)18-16-34(23,35)7/h9,22,24-27H,10-21H2,1-8H3,(H,37,38)(H,40,41)/t22?,24-,25-,26+,27-,33-,34+,35+,36-/m0/s1 |
| InChIKey | IPVYWMQONRPDMX-PZTONWAASA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C36H56O6 |
| Exact Mass | 584.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kkFUKvBfAb |
|---|---|
| Name | OLEANOLIC-ACID-3-O-(3'-METHYL)-GLUTARATE |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O6 |
| InChI | InChI=1S/C36H56O6/c1-22(19-28(37)38)20-29(39)42-27-12-13-33(6)25(32(27,4)5)11-14-35(8)26(33)10-9-23-24-21-31(2,3)15-17-36(24,30(40)41)18-16-34(23,35)7/h9,22,24-27H,10-21H2,1-8H3,(H,37,38)(H,40,41)/t22?,24-,25-,26+,27-,33-,34+,35+,36-/m0/s1 |
| InChIKey | IPVYWMQONRPDMX-PZTONWAASA-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 | 584.837 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2118 |