Spektraris NMR
lupeolic acid
Common Name: lupeolic acid
Synonyms: lupeolic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23+,24+,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=NYJYXELDYSTZFI-XSDHLHMPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli G., Mathe C., Archier P., Vieillescazes C. Phytochemistry (2003) 62, 537-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.8 |
| 2 (CH2) | 26.3 |
| 3 (CH) | 71 |
| 4 (C) | 47.5 |
| 5 (CH) | 49 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 49.7 |
| 10 (C) | 37.8 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43 |
| 18 (CH) | 48.2 |
| 19 (CH) | 48 |
| 20 (C) | 151 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40 |
| 23 (CH3) | 24.1 |
| 24 (C) | 183 |
| 25 (CH3) | 13.4 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
