Spektraris NMR
3-O-(E)-Coumaroyl oleanolic acid
Common Name: 3-O-(E)-Coumaroyl oleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=PSZDOEIIIJFCFE-OSQDELBUSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Takahashi, H., Iuchi, M., Fujita, Y., Minami, H., Fukuyama, Y. Phytochemistry (1999) 51, 543-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.6 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 79.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.6 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.3 |
| 13 (C) | 144.2 |
| 14 (C) | 41.7 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 22 |
| 17 (C) | 36.9 |
| 18 (CH) | 42.3 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 31 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 25.9 |
| 28 (CH2) | 69.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.6 |
