Spektraris NMR
Wilforic acid C
Common Name: Wilforic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18-22,31H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=KVLFXTHBJNNYDP-KWDXJSKJSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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 : 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) | 30.8 |
| 2 (CH) | 74.1 |
| 3 (C) | 213.3 |
| 4 (CH) | 52.7 |
| 5 (C) | 43.1 |
| 6 (CH2) | 41.3 |
| 7 (CH2) | 18.5 |
| 8 (CH) | 50.9 |
| 9 (C) | 37.2 |
| 10 (CH) | 52.6 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.5 |
| 13 (C) | 39.5 |
| 14 (C) | 39.7 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 37.8 |
| 17 (C) | 30.4 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 30.8 |
| 20 (C) | 40.7 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 36.7 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.2 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 32.1 |
| 29 (C) | 181.2 |
| 30 (CH3) | 32.1 |
