Spektraris NMR
Candidenodiol
Common Name: Candidenodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-6-18(4)11-13-14(21)10-15-17(2,3)8-7-9-20(15,23)19(13,5)16(22)12-18/h6,10,13,16,22-23H,1,7-9,11-12H2,2-5H3/t13-,16-,18+,19-,20-/m0/s1
InChIKey: InChIKey=YWVNQQBAZQCNHR-WQNDOASUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valente, L.M., Gunatilaka, A.A., Kingston, D.G., Patitucci, M.L., Pinto, A.C. J Nat Prod (1997) 60, 478-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) | 34.8 |
| 2 (CH2) | 17.2 |
| 3 (CH2) | 39.2 |
| 4 (C) | 36.6 |
| 5 (C) | 166.4 |
| 6 (CH) | 123.7 |
| 7 (C) | 200.4 |
| 8 (CH) | 44.7 |
| 9 (C) | 47.8 |
| 10 (C) | 76.3 |
| 11 (CH) | 67.8 |
| 12 (CH2) | 43.4 |
| 13 (C) | 36.7 |
| 14 (CH2) | 31.5 |
| 15 (CH) | 145.2 |
| 16 (CH2) | 113 |
| 17 (CH3) | 31 |
| 18 (CH3) | 31.1 |
| 19 (CH3) | 31.3 |
| 20 (CH3) | 9.6 |
