Spektraris NMR
Wilforic acid A
Common Name: Wilforic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h15,21-22,30-31H,7-14,16H2,1-6H3,(H,32,33)/t21-,22+,25+,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=NBMIXMLIGPLJPK-KHYSSQCESA-N
Formula: C29H42O4
Molecular Weight: 454.642472
Exact Mass: 454.30831
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, K.H., Duan, H.Q., Kawazoe, K., Takaishi, Y. Phytochemistry (1997) 45, 791-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 109.4 |
| 2 (C) | 142.8 |
| 3 (C) | 144.5 |
| 4 (C) | 122.9 |
| 5 (C) | 125.1 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 19.1 |
| 8 (CH) | 45 |
| 9 (C) | 37.1 |
| 10 (C) | 142.7 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.4 |
| 14 (C) | 39.6 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 37.4 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.7 |
| 19 (CH2) | 31.1 |
| 20 (C) | 40.6 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 36.7 |
| 23 (CH3) | 12.2 |
| 25 (CH3) | 27.8 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 32.1 |
| 29 (C) | 181.3 |
| 30 (CH3) | 32.1 |
