Spektraris NMR
Wiforic acid B
Common Name: Wiforic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O4/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/h19-22,30H,7-16H2,1-6H3,(H,32,33)/t19-,20+,21+,22-,25-,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=IBFPFYPZOPHYKC-RVSDKLHUSA-N
Formula: C29H44O4
Molecular Weight: 456.658354
Exact Mass: 456.32396
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nakano, K., Oose, Y., Takaishi, Y. Phytochemistry (1997) 46, 1179-82
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 (CH2) | 28.6 |
| 2 (CH) | 71.6 |
| 3 (C) | 200.1 |
| 4 (C) | 127.6 |
| 5 (C) | 159.6 |
| 6 (CH2) | 31 |
| 7 (CH2) | 21 |
| 8 (CH) | 48.6 |
| 9 (C) | 37.6 |
| 10 (CH) | 52.5 |
| 11 (CH2) | 33.1 |
| 12 (CH2) | 29.1 |
| 13 (C) | 38.8 |
| 14 (C) | 39.5 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 36.4 |
| 17 (C) | 30.1 |
| 18 (CH) | 44.3 |
| 19 (CH2) | 29.5 |
| 20 (C) | 40.4 |
| 21 (CH2) | 30 |
| 22 (CH2) | 36.1 |
| 23 (CH3) | 11.2 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 30.2 |
| 29 (C) | 184.7 |
| 30 (CH3) | 31.7 |
