Spektraris NMR
14a-Formyloxy-ent-trachyloban-15-one
Common Name: 14a-Formyloxy-ent-trachyloban-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-18(2)7-5-8-19(3)13(18)6-9-21-14(19)10-12-15(16(21)24-11-22)20(12,4)17(21)23/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15+,16-,19-,20+,21+/m1/s1
InChIKey: InChIKey=DZLLMVAFECKWKC-RHBMFIQRSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) | 40.59 |
| 2 (CH2) | 18.56 |
| 3 (CH2) | 41.62 |
| 4 (C) | 32.81 |
| 5 (CH) | 54.59 |
| 6 (CH2) | 18.56 |
| 7 (CH2) | 28.73 |
| 8 (C) | 48.74 |
| 9 (CH) | 56.56 |
| 10 (C) | 37.7 |
| 11 (CH2) | 17.59 |
| 12 (CH) | 32.67 |
| 13 (CH) | 33.97 |
| 14 (CH) | 77.3 |
| 15 (C) | 209.89 |
| 16 (C) | 37.7 |
| 17 (CH3) | 12.77 |
| 18 (CH3) | 33.33 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 15.52 |
| 14a (CH) | 160.68 |
