Spektraris NMR
Divinorin F
Common Name: Divinorin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-20(7-4-13-6-9-27-12-13)14(11-22)5-8-21(2)15(19(25)26-3)10-16(23)17(24)18(20)21/h6,9-10,12,14,16-18,22-24H,4-5,7-8,11H2,1-3H3/t14-,16-,17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=WPHMXPORMBMMMF-TWLHIMTCSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shirota, O., Nagamatsu, K., Sekita, S. J Nat Prod (2006) 69, 1782-6
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) | 66.3 |
| 2 (CH) | 70 |
| 3 (CH) | 135.3 |
| 4 (C) | 143 |
| 5 (C) | 38 |
| 6 (CH2) | 37.7 |
| 7 (CH2) | 21.8 |
| 8 (CH) | 44.5 |
| 9 (C) | 38.8 |
| 10 (CH) | 48.1 |
| 11 (CH2) | 38.9 |
| 12 (CH2) | 18.3 |
| 13 (C) | 124.8 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.9 |
| 16 (CH) | 138.5 |
| 17 (CH2) | 63.9 |
| 18 (C) | 167.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 21.2 |
| 18a (CH3) | 51.6 |
