Spektraris NMR
Calcaratarin C
Common Name: Calcaratarin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15(21)10-14-11-17(22)23-12-14/h11,15-16,18,21H,1,5-10,12H2,2-4H3/t15?,16-,18+,20-/m0/s1
InChIKey: InChIKey=LASHAKYHWZTYLP-WUXSCTBWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kong, L.Y., Qin, M.J., Niwa, M. J Nat Prod (2000) 63, 939-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.06 |
| 2 (CH2) | 19.24 |
| 3 (CH2) | 41.94 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.34 |
| 7 (CH2) | 38.18 |
| 8 (C) | 148.69 |
| 9 (CH) | 51.97 |
| 10 (C) | 39.43 |
| 11 (CH) | 67.4 |
| 12 (CH2) | 31.16 |
| 13 (C) | 172.98 |
| 14 (CH) | 114.52 |
| 15 (C) | 173.45 |
| 16 (CH2) | 70.98 |
| 17 (CH2) | 106.51 |
| 18 (CH3) | 33.55 |
| 19 (CH3) | 21.64 |
| 20 (CH3) | 14.63 |
