Spektraris NMR
Cornutin H
Common Name: Cornutin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-12-10-17-22(4)15(20(25)28-17)6-5-7-16(22)21(12,3)19(27-13(2)23)18(24)14-8-9-26-11-14/h8-9,11-12,15-17,19H,5-7,10H2,1-4H3/t12-,15+,16-,17+,19-,21+,22+/m1/s1
InChIKey: InChIKey=GZALYABYTBSTNG-QZXVLBIASA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
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) | 22.1 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 19.3 |
| 4 (CH) | 55.8 |
| 5 (C) | 42.7 |
| 6 (CH) | 86.8 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 36.2 |
| 9 (C) | 44.1 |
| 10 (CH) | 46.8 |
| 11 (CH) | 82.1 |
| 12 (C) | 192.3 |
| 13 (C) | 127.9 |
| 14 (CH) | 109 |
| 15 (CH) | 144.2 |
| 16 (CH) | 147.4 |
| 17 (CH3) | 17.2 |
| 18 (C) | 177.4 |
| 19 (CH3) | 12.7 |
| 20 (CH3) | 15.8 |
| 11a (C) | 170.3 |
| 11b (CH3) | 20.8 |
