Spektraris NMR
Emmottene
Common Name: Emmottene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-13(2)7-6-12-20(5)17-11-9-14(3)16-10-8-15(4)18(16)19(17)20/h7,15-19H,3,6,8-12H2,1-2,4-5H3/t15-,16-,17+,18-,19-,20-/m1/s1
InChIKey: InChIKey=CEHLGENVDATDKI-DAUOMPHXSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Cronan, J.M., Jr., Daviau, T.R., Pannell, L.K., Cardellina II, J.H. J Org Chem (1995) 60, 6864-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylaromadendranes; 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) | 42 |
| 2 (CH) | 38.2 |
| 3 (CH2) | 31.7 |
| 4 (CH2) | 28.4 |
| 5 (CH) | 51.1 |
| 6 (C) | 152 |
| 7 (CH2) | 36.1 |
| 8 (CH2) | 22.4 |
| 9 (CH) | 24.4 |
| 10 (CH) | 23.6 |
| 11 (C) | 21.4 |
| 12 (CH2) | 43.7 |
| 13 (CH2) | 25.7 |
| 14 (CH) | 125.5 |
| 15 (C) | 130.6 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 13.4 |
| 19 (CH3) | 16.9 |
| 20 (CH2) | 110.2 |
