Spektraris NMR
16-Deacetoxy-7β-hydroxyfusidic acid
Common Name: 16-Deacetoxy-7β-hydroxyfusidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O5/c1-16(2)8-7-9-19(26(33)34)18-10-13-28(5)21(18)14-23(31)25-27(4)12-11-22(30)17(3)20(27)15-24(32)29(25,28)6/h8,17,20-25,30-32H,7,9-15H2,1-6H3,(H,33,34)/b19-18+/t17-,20-,21-,22+,23+,24-,25-,27-,28-,29-/m0/s1
InChIKey: InChIKey=VYHHOMDLVBXTJZ-QUMOXZQVSA-N
Formula: C29H46O5
Molecular Weight: 474.67364
Exact Mass: 474.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Evans, L., Hedger, J.N., Brayford, D., Stavri, M., Smith, E., O'Donnell, G., Gray, A.I., Griffith, G.W., Gibbons, S. Phytochemistry (2006) 67, 2110-4
Species:
Notes: Family : Steroids, Type : 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 (CH2) | 29.9 |
| 3 (CH) | 71.4 |
| 4 (CH) | 37.3 |
| 5 (CH) | 36.2 |
| 6 (CH2) | 34.1 |
| 7 (CH) | 70.9 |
| 8 (C) | 45.6 |
| 9 (CH) | 50.8 |
| 10 (C) | 36.7 |
| 11 (CH) | 68.7 |
| 12 (CH2) | 36.4 |
| 13 (CH) | 46 |
| 14 (C) | 49.6 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 33 |
| 17 (C) | 160.4 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 24.4 |
| 20 (C) | 125 |
| 21 (C) | 173.8 |
| 22 (CH2) | 28.5 |
| 23 (CH2) | 29.4 |
| 24 (CH) | 124 |
| 25 (C) | 132.2 |
| 26 (CH3) | 18 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 16 |
| 30 (CH3) | 14.6 |
