Spektraris NMR
Flexusines B
Common Name: Flexusines B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14(2)17-13-19-20(5,22-19)11-7-10-15(3)8-6-9-16(4)12-18(17)21/h9-10,13-14,19H,6-8,11-12H2,1-5H3/b15-10+,16-9+,17-13-/t19-,20-/m1/s1
InChIKey: InChIKey=XYGZKBQEGUFULA-TXJAJOANSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bensemhoum, J., Rudi, A., Bombarda, I., Gaydou, E.M., Kashman, Y., Aknin, M. J Nat Prod (2008) 71, 1262-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 150.7 |
| 2 (CH) | 142.5 |
| 3 (CH) | 52.3 |
| 4 (C) | 59.4 |
| 5 (CH2) | 36.4 |
| 6 (CH2) | 24 |
| 7 (CH) | 123.8 |
| 8 (C) | 132.6 |
| 9 (CH2) | 39.2 |
| 10 (CH2) | 23.9 |
| 11 (CH) | 129.7 |
| 12 (C) | 126.2 |
| 13 (CH2) | 52.3 |
| 14 (C) | 205 |
| 15 (CH) | 29.2 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 14 |
| 20 (CH3) | 15.5 |
