Spektraris NMR
Trichadonic acid
Common Name: Trichadonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,5)11-10-22-28(21,6)15-17-30(24(32)33)23-18-25(2,3)12-13-26(23,4)14-16-29(22,30)7/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=DCZGJIUDCAUZMF-ZAYGEOOPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giner Pons R. M., Gray A. I. L. C. M. G., Gibbons S., Waterman P. G. Phytochemistry (1992) 31, 223
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.3 |
| 2 (CH2) | 41.4 |
| 3 (C) | 213 |
| 4 (CH) | 58.1 |
| 5 (C) | 42.2 |
| 6 (CH2) | 40.9 |
| 7 (CH2) | 18.5 |
| 8 (CH) | 53 |
| 9 (C) | 38.3 |
| 10 (CH) | 59.4 |
| 11 (CH2) | 37.6 |
| 12 (CH2) | 27.8 |
| 13 (C) | 54.8 |
| 14 (C) | 39.2 |
| 15 (CH2) | 33 |
| 16 (CH2) | 35.9 |
| 17 (C) | 30.7 |
| 18 (CH) | 43.3 |
| 19 (CH2) | 35.7 |
| 20 (C) | 28.4 |
| 21 (CH2) | 32.4 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 18.4 |
| 26 (CH3) | 22.7 |
| 27 (C) | 181.1 |
| 28 (CH3) | 31 |
| 29 (CH3) | 30.5 |
| 30 (CH3) | 35.4 |
