Spektraris NMR
Wilforic acid D
Common Name: Wilforic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-8-36-26-32-10-9-21-29(5,22(32)17-20(33)24(37-26)19(32)2)14-16-31(7)23-18-28(4,25(34)35)12-11-27(23,3)13-15-30(21,31)6/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t19-,20+,21-,22-,23+,24+,26+,27+,28+,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=MILUXBBEUPIOMH-DEQVWBCESA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. Phytochemistry (2000) 53, 805-10
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) | 27 |
| 2 (CH) | 69.1 |
| 3 (CH) | 83.6 |
| 4 (CH) | 44.1 |
| 5 (C) | 49.6 |
| 6 (CH2) | 29.6 |
| 7 (CH2) | 19.2 |
| 8 (CH) | 50.4 |
| 9 (C) | 37.2 |
| 10 (CH) | 52.8 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 29.1 |
| 13 (C) | 39.1 |
| 14 (C) | 39 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.1 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 30.3 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.5 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 14.2 |
| 24 (CH) | 103.4 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 31.9 |
| 29 (C) | 184.6 |
| 30 (CH3) | 31.5 |
| 24a (CH2) | 64.6 |
| 24b (CH3) | 15.4 |
