Spektraris NMR
Canditriol
Common Name: Canditriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15-,16-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=SMJRKTGCQAVGTN-SSKHUGDLSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga B.M., Alvarez L., Suarez S. J Nat Prod (2003) 66, 327-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 34.8 |
| 4 (C) | 37.3 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 28.5 |
| 7 (CH) | 73.6 |
| 8 (C) | 52.4 |
| 9 (CH) | 52.9 |
| 10 (C) | 39.1 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 41.2 |
| 14 (CH2) | 27.5 |
| 15 (CH) | 84 |
| 16 (C) | 160.2 |
| 17 (CH2) | 107.8 |
| 18 (CH2) | 71.2 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 18.1 |
