Spektraris NMR
3,8-Bicylized cembranoid
Common Name: 3,8-Bicylized cembranoid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-11(2)13-5-4-12-6-14(22-17(12)20)8-18(3)9-15-16(23-18)10-19(21,7-13)24-15/h6,13-16,21H,1,4-5,7-10H2,2-3H3/t13-,14+,15+,16+,18-,19-/m1/s1
InChIKey: InChIKey=VILDJRZITXPVJG-DYIPZHMLSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kamel, H.N., Fronczek, F.R., Khalifa, S.I., Slattery, M. Chem Pharm Bull (2007) 55, 537-40
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 (CH) | 40.3 |
| 2 (CH2) | 35.5 |
| 3 (C) | 113.2 |
| 4 (CH2) | 41.5 |
| 5 (CH) | 84.5 |
| 6 (CH) | 80.9 |
| 7 (CH2) | 38.9 |
| 8 (C) | 84.2 |
| 9 (CH2) | 38.5 |
| 10 (CH) | 79.6 |
| 11 (CH) | 149.6 |
| 12 (C) | 132.3 |
| 13 (CH2) | 21.6 |
| 14 (CH2) | 30.5 |
| 15 (C) | 148.1 |
| 16 (CH2) | 111.5 |
| 17 (CH3) | 18 |
| 19 (CH3) | 27.6 |
| 20 (C) | 174.8 |
