Spektraris NMR
Tripterygic acid A
Common Name: Tripterygic acid A
Synonyms: Tripterygic acid A
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23-,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=IWVWTVWLRSUYNC-YLOASUEESA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang D. M., Yu D. Q. Planta Med (1990) 56, 98
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) | 38.5 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 77.4 |
| 4 (C) | 38.5 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.3 |
| 8 (C) | 39.6 |
| 9 (CH) | 47.2 |
| 10 (C) | 38.4 |
| 11 (CH2) | 23 |
| 12 (CH) | 124.8 |
| 13 (C) | 138 |
| 14 (C) | 42.2 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 20.3 |
| 17 (C) | 36.4 |
| 18 (CH) | 57.2 |
| 19 (CH) | 33.6 |
| 20 (CH) | 49.7 |
| 21 (CH2) | 33.1 |
| 22 (CH) | 76.7 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 23.1 |
| 28 (CH3) | 24.3 |
| 29 (CH3) | 18 |
| 30 (C) | 177 |
