Spektraris NMR
Calcaratarin D
Common Name: Calcaratarin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16+,17-,20+/m0/s1
InChIKey: InChIKey=WCYYIFXENZTEHA-IEVCPYEKSA-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) | 39.24 |
| 2 (CH2) | 19.31 |
| 3 (CH2) | 41.98 |
| 4 (C) | 33.58 |
| 5 (CH) | 55.41 |
| 6 (CH2) | 24.13 |
| 7 (CH2) | 37.84 |
| 8 (C) | 148.19 |
| 9 (CH) | 56.46 |
| 10 (C) | 39.75 |
| 11 (CH2) | 25.15 |
| 12 (CH) | 149.87 |
| 13 (C) | 127.88 |
| 14 (CH) | 66.54 |
| 15 (CH2) | 74.21 |
| 16 (C) | 169.96 |
| 17 (CH2) | 107.49 |
| 18 (CH3) | 33.54 |
| 19 (CH3) | 21.69 |
| 20 (CH3) | 14.42 |
