Spektraris NMR
Jamesoniellide J
Common Name: Jamesoniellide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-13(22)7-9-21(2)16(5-4-6-17(21)20(24)25-3)15-11-18(27-19(15)23)14-8-10-26-12-14/h8,10,12-13,17-18,22H,4-7,9,11H2,1-3H3/b16-15+/t13-,17-,18-,21-/m0/s1
InChIKey: InChIKey=AXDVKAQGXXYSTO-VNRHCRAQSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Becker, H., Nabeta, K. Phytochemistry (1999) 51, 743-50
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) | 25.1 |
| 2 (CH2) | 21.7 |
| 3 (CH2) | 22.3 |
| 4 (CH) | 51.8 |
| 5 (C) | 44.2 |
| 6 (CH2) | 35.8 |
| 7 (CH2) | 33 |
| 8 (CH) | 68.2 |
| 9 (C) | 119.5 |
| 10 (C) | 160.9 |
| 11 (CH2) | 36.8 |
| 12 (CH) | 70.2 |
| 13 (C) | 125.2 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.8 |
| 17 (CH3) | 23.9 |
| 18 (C) | 174.5 |
| 19 (CH3) | 24 |
| 20 (C) | 171 |
| 18a (CH3) | 51.4 |
