| SpectraBase Compound ID | 3vbfsn97KKS |
|---|---|
| InChI | InChI=1S/C38H60O6/c1-10-34(6,22-29(39)40)23-30(41)44-28-14-15-35(7)26(33(28,4)5)13-16-37(9)27(35)12-11-24-25-21-32(2,3)17-19-38(25,31(42)43)20-18-36(24,37)8/h11,25-28H,10,12-23H2,1-9H3,(H,39,40)(H,42,43)/t25-,26-,27+,28-,34?,35-,36+,37+,38-/m0/s1 |
| InChIKey | SVXSTISDCCZLCC-LIDJKNRJSA-N |
| Mol Weight | 612.9 g/mol |
| Molecular Formula | C38H60O6 |
| Exact Mass | 612.43899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1oLCIz7XiQw |
|---|---|
| Name | OLEANOLIC-ACID-3-O-(3',3'-DIMETHYL)-GLUTARATE;ISOMER-#1 |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O6 |
| InChI | InChI=1S/C38H60O6/c1-10-34(6,22-29(39)40)23-30(41)44-28-14-15-35(7)26(33(28,4)5)13-16-37(9)27(35)12-11-24-25-21-32(2,3)17-19-38(25,31(42)43)20-18-36(24,37)8/h11,25-28H,10,12-23H2,1-9H3,(H,39,40)(H,42,43)/t25-,26-,27+,28-,34?,35-,36+,37+,38-/m0/s1 |
| InChIKey | SVXSTISDCCZLCC-LIDJKNRJSA-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 | 612.891 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2119 |