Spektraris NMR
b-boswellic acid
Common Name: b-boswellic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=NBGQZFQREPIKMG-PONOSELZSA-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 : Ursanes; 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) | 33.9 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 70.8 |
| 4 (C) | 47.4 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40 |
| 9 (CH) | 46.8 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 124.5 |
| 13 (C) | 139.6 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 28.1 |
| 17 (C) | 33.8 |
| 18 (CH) | 59.2 |
| 19 (CH) | 39.7 |
| 20 (CH) | 39.6 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 41.5 |
| 23 (CH3) | 24.2 |
| 24 (C) | 183.1 |
| 25 (CH3) | 13.3 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 23.2 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 21.4 |
