Spektraris NMR
Fusidic acid Methyl ester
Common Name: Fusidic acid Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-18(2)10-9-11-21(29(36)37-8)27-23-16-25(35)28-30(5)14-13-24(34)19(3)22(30)12-15-31(28,6)32(23,7)17-26(27)38-20(4)33/h10,19,22-26,28,34-35H,9,11-17H2,1-8H3/b27-21-/t19-,22-,23-,24+,25+,26-,28-,30-,31-,32-/m0/s1
InChIKey: InChIKey=OSTSXXLGJSGZGX-VTDUFRGJSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
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) | 30.27 |
| 2 (CH2) | 30.03 |
| 3 (CH) | 71.43 |
| 4 (CH) | 36.45 |
| 5 (CH) | 36.09 |
| 6 (CH2) | 20.92 |
| 7 (CH2) | 32.29 |
| 8 (C) | 39.54 |
| 9 (CH) | 49.41 |
| 10 (C) | 37.03 |
| 11 (CH) | 68.3 |
| 12 (CH2) | 35.66 |
| 13 (CH) | 43.97 |
| 14 (C) | 48.76 |
| 15 (CH2) | 39.13 |
| 16 (CH) | 74.47 |
| 17 (C) | 148.19 |
| 18 (CH3) | 17.77 |
| 19 (CH3) | 22.97 |
| 20 (C) | 130.46 |
| 21 (C) | 170.75 |
| 22 (CH2) | 28.99 |
| 23 (CH2) | 28.37 |
| 24 (CH) | 123.15 |
| 25 (C) | 132.54 |
| 26 (CH3) | 17.77 |
| 27 (CH3) | 25.73 |
| 28 (CH3) | 15.96 |
| 30 (CH3) | 23.99 |
| 16a (C) | 170.36 |
| 16b (CH3) | 20.95 |
| 21a (CH3) | 51.34 |
