| SpectraBase Compound ID | 9hxPrEkYb7a |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-34(2)29-14-17-39(7)30(12-10-25-26-23-36(4,33(43)44)19-18-35(26,3)20-21-38(25,39)6)37(29,5)16-15-31(34)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29-,30+,31+,35+,36-,37-,38+,39+/m0/s1 |
| InChIKey | LIICRHWRACTKSY-LPKFOLRYSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | o1UO0ULpix |
|---|---|
| Name | 3-ALPHA-(E)-CAFFEOYLOXYOLEAN-12-EN-30-OIC_ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-34(2)29-14-17-39(7)30(12-10-25-26-23-36(4,33(43)44)19-18-35(26,3)20-21-38(25,39)6)37(29,5)16-15-31(34)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29-,30+,31+,35+,36-,37-,38+,39+/m0/s1 |
| InChIKey | LIICRHWRACTKSY-LPKFOLRYSA-N |
| Literature Reference Author | C.M.LIU,H.X.WANG,S.L.WEI,K.GAO |
| Literature Reference Citation | J.NAT.PROD.,71,789(2008) |
| Literature Reference DOI | 10.1021/np070618n |
| Molecular Weight | 618.854 g/mol |
| Sample ID | 28230 |
| Solvent | CDCl3 |