| SpectraBase Compound ID | AwooFHFs50b |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1 |
| InChIKey | MNUNUJQYFJZRHQ-VZLLCJDWSA-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 | CQo9cp1eurt |
|---|---|
| Name | 3-O-(3',4'-DIHYDROXYCINNAMOYL)-BETULINIC-ACID;PYRACRENIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1 |
| InChIKey | MNUNUJQYFJZRHQ-VZLLCJDWSA-N |
| Literature Reference Author | W.F.TINTO,L.C.BLAIR,A.ALLI,W.F.REYNOLDS,S.MCLEAN |
| Literature Reference Citation | J.NAT.PROD.,55,395(1992) |
| Literature Reference DOI | 10.1021/np50081a020 |
| Molecular Weight | 618.854 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS2224 |