Spektraris NMR
28-benzyloleonolic acid
Common Name: 28-benzyloleonolic acid
Synonyms: 28-benzyloleonolic acid
CAS Registry Number:
InChI: InChI=1S/C37H54O3/c1-32(2)19-21-37(31(39)40-24-25-11-9-8-10-12-25)22-20-35(6)26(27(37)23-32)13-14-29-34(5)17-16-30(38)33(3,4)28(34)15-18-36(29,35)7/h8-13,27-30,38H,14-24H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey: InChIKey=BXPBVHNXTDZAAM-GBVPUKILSA-N
Formula: C37H54O3
Molecular Weight: 546.824244
Exact Mass: 546.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Weis, R., Seebacher, W. Magn Reson Chem (2002) 40, 455-7
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) | 38.41 |
| 2 (CH2) | 27.16 |
| 3 (CH) | 78.98 |
| 4 (C) | 38.72 |
| 5 (CH) | 55.18 |
| 6 (CH2) | 18.29 |
| 7 (CH2) | 32.69 |
| 8 (C) | 39.25 |
| 9 (CH) | 47.58 |
| 10 (C) | 36.98 |
| 11 (CH2) | 23.37 |
| 12 (CH) | 122.47 |
| 13 (C) | 143.66 |
| 14 (C) | 41.66 |
| 15 (CH2) | 27.61 |
| 16 (CH2) | 23.03 |
| 17 (C) | 46.72 |
| 18 (CH) | 41.36 |
| 19 (CH2) | 45.85 |
| 20 (C) | 30.68 |
| 21 (CH2) | 33.83 |
| 22 (CH2) | 32.35 |
| 23 (CH3) | 28.08 |
| 24 (CH3) | 15.56 |
| 25 (CH3) | 15.28 |
| 26 (CH3) | 16.85 |
| 27 (CH3) | 25.86 |
| 28 (C) | 177.42 |
| 29 (CH3) | 33.09 |
| 30 (CH3) | 23.63 |
| 28a (CH2) | 65.9 |
| 28b (C) | 136.41 |
| 28c (CH) | 127.87 |
| 28d (CH) | 127.95 |
| 28e (CH) | 128.38 |
| 28f (CH) | 127.95 |
| 28g (CH) | 127.87 |
