Spektraris NMR
Jamesoniellide I
Common Name: Jamesoniellide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-11-8-15(12-6-7-24-10-12)25-18(22)13(11)9-17-20(2)14(19(23)26-17)4-3-5-16(20)21/h4,6-7,10,15-17,21H,3,5,8-9H2,1-2H3/t15-,16+,17+,20+/m0/s1
InChIKey: InChIKey=FVOLZPYKVQKWQB-TVKQPGBESA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
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) | 26.9 |
| 2 (CH2) | 20.7 |
| 3 (CH) | 136.3 |
| 4 (C) | 122.2 |
| 5 (C) | 44.7 |
| 6 (CH) | 86.8 |
| 7 (CH2) | 42.9 |
| 8 (C) | 130.7 |
| 9 (C) | 149 |
| 10 (CH) | 69.2 |
| 11 (CH2) | 35.1 |
| 12 (CH) | 70.4 |
| 13 (C) | 125.5 |
| 14 (CH) | 108.2 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.7 |
| 17 (C) | 169 |
| 18 (C) | 169.5 |
| 19 (CH3) | 28.8 |
| 20 (CH3) | 17.6 |
