Spektraris NMR
Coladonin
Common Name: Coladonin
Synonyms: Coladonin
CAS Registry Number:
InChI: InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21-,24+/m1/s1
InChIKey: InChIKey=FCWYNTDTQPCVPG-XLRKYUMYSA-N
Formula: C24H30O4
Molecular Weight: 382.493504
Exact Mass: 382.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Zen, ., Tagliapietra, S., Cisero, M. Phytochemistry (1992) 31, 3211-3
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 37.4 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 78.5 |
| 4 (C) | 39.2 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 37.2 |
| 8 (C) | 146.3 |
| 9 (CH) | 54.3 |
| 10 (C) | 38.8 |
| 11 (CH2) | 65.7 |
| 12 (CH2) | 107.8 |
| 13 (CH3) | 28.3 |
| 14 (CH3) | 15.5 |
| 15 (CH3) | 15.3 |
| 2' (C) | 162.2 |
| 3' (CH) | 113.1 |
| 4' (CH) | 143.4 |
| 5' (CH) | 128.7 |
| 6' (CH) | 113.1 |
| 7' (C) | 161.2 |
| 8' (CH) | 101.4 |
| 9' (C) | 155.9 |
| 10' (C) | 112.5 |
