Spektraris NMR
3-epi Fusidic acid methyl ester
Common Name: 3-epi 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-OAYQLCSUSA-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) | 34.4 |
| 2 (CH2) | 31.72 |
| 3 (CH) | 76.58 |
| 4 (CH) | 39.72 |
| 5 (CH) | 43 |
| 6 (CH2) | 21.04 |
| 7 (CH2) | 32.86 |
| 8 (C) | 39.52 |
| 9 (CH) | 49.16 |
| 10 (C) | 36.83 |
| 11 (CH) | 68.37 |
| 12 (CH2) | 36.02 |
| 13 (CH) | 43.96 |
| 14 (C) | 48.79 |
| 15 (CH2) | 39.17 |
| 16 (CH) | 74.42 |
| 17 (C) | 148.08 |
| 18 (CH3) | 17.79 |
| 19 (CH3) | 23.74 |
| 20 (C) | 130.64 |
| 21 (C) | 170.66 |
| 22 (CH2) | 28.99 |
| 23 (CH2) | 28.32 |
| 24 (CH) | 123.13 |
| 25 (C) | 132.58 |
| 26 (CH3) | 17.79 |
| 27 (CH3) | 25.74 |
| 28 (CH3) | 15.38 |
| 30 (CH3) | 24.22 |
| 16a (C) | 170.36 |
| 16b (CH3) | 20.97 |
| 21a (CH3) | 51.38 |
