Spektraris NMR
Ineleganene
Common Name: Ineleganene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-8-20(7)13-12-18(14-19(20)16(4)5)17(6)11-9-10-15(2)3/h8,11,18-19H,1-2,4,9-10,12-14H2,3,5-7H3/b17-11+/t18-,19-,20+/m1/s1
InChIKey: InChIKey=DAGCNSBIYQRVRH-FOVZBIIFSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chai, M.C., Wang, S.K., Dai, C.F., Duh, C.Y. J Nat Prod (2000) 63, 843-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lobanes; 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) | 40.4 |
| 2 (CH) | 52.9 |
| 3 (CH2) | 33.4 |
| 4 (CH) | 44.5 |
| 5 (CH2) | 26.8 |
| 6 (CH2) | 39.8 |
| 7 (CH3) | 16.6 |
| 8 (CH) | 150.4 |
| 9 (CH2) | 109.8 |
| 10 (C) | 147.8 |
| 11 (CH2) | 112.1 |
| 12 (CH3) | 24.7 |
| 13 (C) | 131.6 |
| 14 (CH3) | 25.6 |
| 15 (CH) | 124.3 |
| 16 (CH2) | 27.3 |
| 17 (CH2) | 34.9 |
| 18 (C) | 154.5 |
| 19 (CH2) | 107.1 |
| 20 (CH3) | 17.7 |
