Spektraris NMR
Cornutin E
Common Name: Cornutin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-11-9-15-20(3)13(18(23)25-15)5-4-6-14(20)19(11,2)17(22)16(21)12-7-8-24-10-12/h7-8,10-11,13-15,17,22H,4-6,9H2,1-3H3/t11-,13+,14-,15+,17-,19+,20+/m1/s1
InChIKey: InChIKey=XNVTUCIBLUQUSY-NRNXRCHESA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
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) | 22.6 |
| 2 (CH2) | 27.1 |
| 3 (CH2) | 20.4 |
| 4 (CH) | 56.9 |
| 5 (C) | 44.1 |
| 6 (CH) | 89 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 36 |
| 9 (C) | 46.7 |
| 10 (CH) | 47.8 |
| 11 (CH) | 82.9 |
| 12 (C) | 201.2 |
| 13 (C) | 128.6 |
| 14 (CH) | 110.3 |
| 15 (CH) | 144.7 |
| 16 (CH) | 150.8 |
| 17 (CH3) | 18.3 |
| 18 (C) | 180.2 |
| 19 (CH3) | 12.8 |
| 20 (CH3) | 15.9 |
