Spektraris NMR
Blepharolide A
Common Name: Blepharolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-18-12-4-2-3-11-16(22)25-9-19(11,12)7-13(21)20(18)15(18)14(26-17(20)23)10-5-6-24-8-10/h2-3,5-6,8,11-15,21H,4,7,9H2,1H3/t11-,12+,13-,14-,15-,18-,19+,20+/m0/s1
InChIKey: InChIKey=RSPDYFDYHDJBLU-HBDUDIKNSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bisio, A., Fontana, N., Romussi, G., Ciarallo, G., De Tommasi, N., Pizza, C., Mugnoli, A. Phytochemistry (1999) 52, 1535-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 25.2 |
| 2 (CH) | 129.8 |
| 3 (CH) | 120.4 |
| 4 (CH) | 51.1 |
| 5 (C) | 43 |
| 6 (CH2) | 40.7 |
| 7 (CH) | 61.3 |
| 8 (C) | 30.4 |
| 9 (C) | 41.8 |
| 10 (CH) | 42 |
| 11 (CH) | 38.2 |
| 12 (CH) | 74.4 |
| 13 (C) | 122.3 |
| 14 (CH) | 109.4 |
| 15 (CH) | 144.2 |
| 16 (CH) | 140.1 |
| 17 (C) | 176.3 |
| 18 (C) | 177.4 |
| 19 (CH2) | 68.9 |
| 20 (CH3) | 14.7 |
