| SpectraBase Compound ID | 3jEUo6kcvl7 |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)29-16-19-39(7)30(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)14-13-27-28-24-36(4,33(42)43)21-20-35(28,3)22-23-38(27,39)6/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31+,35+,36-,37-,38+,39+/m0/s1 |
| InChIKey | OVNKJWKURSRTLO-REHNRWABSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvytQvlZwRZ |
|---|---|
| Name | 3-ALPHA-(E)-COUMAROYLOXYOLEAN-12-EN-30-OIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)29-16-19-39(7)30(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)14-13-27-28-24-36(4,33(42)43)21-20-35(28,3)22-23-38(27,39)6/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31+,35+,36-,37-,38+,39+/m0/s1 |
| InChIKey | OVNKJWKURSRTLO-REHNRWABSA-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 | 602.855 g/mol |
| Sample ID | 28231 |
| Solvent | CDCl3 |