Spektraris NMR
Cornutin J
Common Name: Cornutin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O8/c1-12-7-17(26)21(4)19(20(12,3)9-15(25)14-5-6-29-10-14)16(30-13(2)24)8-18(27)22(21,28)11-23/h5-6,10,12,15-19,23,25-28H,7-9,11H2,1-4H3/t12-,15+,16-,17+,18+,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=DOMHCLIJRKCLHA-WQBSJIRRSA-N
Formula: C22H34O8
Molecular Weight: 426.501415
Exact Mass: 426.225368
NMR Solvent: CD3OD
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 (CH) | 71.8 |
| 2 (CH2) | 38.5 |
| 3 (CH) | 71.8 |
| 4 (C) | 79.6 |
| 5 (C) | 40.4 |
| 6 (CH) | 75.2 |
| 7 (CH2) | 36 |
| 8 (CH) | 35.7 |
| 9 (C) | 46.9 |
| 10 (CH) | 45.5 |
| 11 (CH2) | 48.2 |
| 12 (CH) | 64.5 |
| 13 (C) | 131.9 |
| 14 (CH) | 109.8 |
| 15 (CH) | 144.6 |
| 16 (CH) | 140.5 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 62.6 |
| 19 (CH3) | 11.2 |
| 20 (CH3) | 19.1 |
| 1a (C) | 172.2 |
| 1b (CH3) | 21.9 |
