Spektraris NMR
19(4-->3)-abeo-abietane
Common Name: 19(4-->3)-abeo-abietane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)15-10-17(22)18-14(19(15)25-5)6-7-16-12(3)13(20(23)24)8-9-21(16,18)4/h10-11,16,22H,6-9H2,1-5H3,(H,23,24)/t16-,21-/m0/s1
InChIKey: InChIKey=NZQIHCWNAMEWEW-KKSFZXQISA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.G., Ikekawa, T., Ohkawa, M., Yokota, I., Hara, N., Fujimoto, Y. Phytochemistry (1997) 44, 1511-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 33.4 |
| 2 (CH2) | 26.7 |
| 3 (C) | 132.6 |
| 4 (C) | 133.6 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 27.5 |
| 8 (C) | 131.6 |
| 9 (C) | 132.7 |
| 10 (C) | 38.4 |
| 11 (C) | 153.9 |
| 12 (CH) | 112.1 |
| 13 (C) | 139.6 |
| 14 (C) | 149 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 24.3 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 18.7 |
| 19 (C) | 173.8 |
| 20 (CH3) | 17.8 |
| 14a (CH3) | 61.5 |
