Spektraris NMR
Fusidic acid
Common Name: Fusidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
InChIKey: InChIKey=IECPWNUMDGFDKC-MZJAQBGESA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rissom, T., Jacobsen, N., Rastruo-Andersen, N., Lorch, H. Tetrahedron Lett (1974) 0, 2247
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fusidanes; 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) | 30.2 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 71.6 |
| 4 (CH) | 36.5 |
| 5 (CH) | 36 |
| 6 (CH2) | 21 |
| 7 (CH2) | 32.1 |
| 8 (C) | 39.6 |
| 9 (CH) | 49.5 |
| 10 (C) | 37 |
| 11 (CH) | 68.3 |
| 12 (CH2) | 35.7 |
| 13 (CH) | 44.3 |
| 14 (C) | 48.8 |
| 15 (CH2) | 39 |
| 16 (CH) | 75.5 |
| 17 (C) | 150.5 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 23.1 |
| 20 (C) | 129.9 |
| 21 (C) | 174.2 |
| 22 (CH2) | 28.8 |
| 23 (CH2) | 28.5 |
| 24 (CH) | 123.2 |
| 25 (C) | 132.5 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 15.9 |
| 30 (CH3) | 23.9 |
| 16a (C) | 170.8 |
| 16b (CH3) | 20.6 |
