Spektraris NMR
Calcaratarin A
Common Name: Calcaratarin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-16-8-11-19-21(2,3)12-7-13-22(19,4)18(16)10-9-17(15-23)14-20(24-5)25-6/h9,15,18-20H,1,7-8,10-14H2,2-6H3/b17-9+/t18-,19-,22+/m0/s1
InChIKey: InChIKey=KUJKCZZRNAACDH-IEPFJFGQSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 39.2 |
| 2 (CH2) | 19.32 |
| 3 (CH2) | 42.06 |
| 4 (C) | 33.56 |
| 5 (CH) | 55.46 |
| 6 (CH2) | 24.14 |
| 7 (CH2) | 37.91 |
| 8 (C) | 148.27 |
| 9 (CH) | 56.58 |
| 10 (C) | 39.58 |
| 11 (CH2) | 24.54 |
| 12 (CH) | 159.93 |
| 13 (C) | 138.16 |
| 14 (CH2) | 29.06 |
| 15 (CH) | 103.91 |
| 16 (CH) | 194.98 |
| 17 (CH2) | 107.86 |
| 18 (CH3) | 33.61 |
| 19 (CH3) | 21.74 |
| 20 (CH3) | 14.41 |
| 15a (CH3) | 54.3 |
| 15b (CH3) | 54.3 |
