Spektraris NMR
CHEMBL516178
Common Name: CHEMBL516178
Synonyms: CHEMBL516178
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,10,13,19H,4,6,8-9,11-12H2,1-3,5H3/b14-7+,16-10-/t19-,20+/m1/s1
InChIKey: InChIKey=AOGLMAUPEFEKHF-YZGGHHSFSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Chia, M.C., Wang, S.K., Chen, H.J., El-Gamal, A.A., Dai, C.F. J Nat Prod (2001) 64, 1028-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 42.1 |
| 2 (CH2) | 53.9 |
| 3 (C) | 201.6 |
| 4 (C) | 151.5 |
| 5 (CH2) | 28.9 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 125.2 |
| 8 (C) | 135.6 |
| 9 (CH2) | 40.2 |
| 10 (CH) | 123.7 |
| 11 (C) | 146 |
| 12 (CH) | 58 |
| 13 (C) | 217.8 |
| 14 (CH2) | 53.8 |
| 15 (CH3) | 28.9 |
| 16 (CH2) | 124.2 |
| 17 (CH3) | 16.8 |
| 18 (CH) | 34.1 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 16.8 |
