Spektraris NMR
Flexusines A
Common Name: Flexusines A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14(2)19-10-9-17(5)12-18(21)11-15(3)7-6-8-16(4)13-20(19)22/h8-10,14-15H,6-7,11-13H2,1-5H3/b16-8+,17-9+,19-10-
InChIKey: InChIKey=KXPOJWWZRQCMOF-QDSZFIPMSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: C6D6
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) | 150.2 |
| 2 (CH) | 121.2 |
| 3 (CH) | 126.9 |
| 4 (C) | 134.5 |
| 5 (CH2) | 54.3 |
| 6 (C) | 208.2 |
| 7 (CH2) | 49.4 |
| 8 (CH) | 28.8 |
| 9 (CH2) | 37.2 |
| 10 (CH2) | 25.4 |
| 11 (CH) | 130.2 |
| 12 (C) | 124.5 |
| 13 (CH2) | 53.3 |
| 14 (C) | 204.9 |
| 15 (CH) | 31.4 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 19.5 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 21.2 |
