Spektraris NMR
Cornutin I
Common Name: Cornutin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12-9-17-20(3)14(18(22)24-17)5-4-6-16(20)19(12,2)10-15(21)13-7-8-23-11-13/h7-8,11-12,14,16-17H,4-6,9-10H2,1-3H3/t12-,14+,16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=YVLGLKBVQAHOHD-LXMLUCMBSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jenett-Siems, K., Kohler, I., Kraft, C., Siems, K., Solis, P.N., Gupta, M.P., Bienzle, U. Phytochemistry (2003) 64, 797-804
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 20.5 |
| 2 (CH2) | 26 |
| 3 (CH2) | 19.4 |
| 4 (CH) | 55.9 |
| 5 (C) | 40.9 |
| 6 (CH) | 87.7 |
| 7 (CH2) | 30.8 |
| 8 (CH) | 37.8 |
| 9 (C) | 43 |
| 10 (CH) | 47.1 |
| 11 (CH2) | 47 |
| 12 (C) | 194.5 |
| 13 (C) | 129.5 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.4 |
| 16 (CH) | 146.9 |
| 17 (CH3) | 16.2 |
| 18 (C) | 177.7 |
| 19 (CH3) | 12.9 |
| 20 (CH3) | 19.1 |
