Spektraris NMR
Taxodal
Common Name: Taxodal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O3/c1-12(2)14-9-13(11-20)15(10-16(14)21)19(5)8-6-7-18(3,4)17(19)22/h9-12,21H,6-8H2,1-5H3/t19-/m1/s1
InChIKey: InChIKey=TUHAXJRKHALZKK-LJQANCHMSA-N
Formula: C19H26O3
Molecular Weight: 302.408656
Exact Mass: 302.188195
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kusomoto, N., Murayama, T., Kawai, Y., Ashitani, T., Ogiyama, K., Takahashi, K. Tetrahedron Lett (2008) 49, 4845-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : 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) | 38.9 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.9 |
| 4 (C) | 43.1 |
| 5 (C) | 213.2 |
| 7 (CH) | 190.2 |
| 8 (C) | 124.8 |
| 9 (C) | 146.9 |
| 10 (C) | 51.4 |
| 11 (CH) | 114.3 |
| 12 (C) | 158.7 |
| 13 (C) | 131.4 |
| 14 (CH) | 136.5 |
| 15 (CH) | 25.5 |
| 16 (CH3) | 20.8 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 28.4 |
| 20 (CH3) | 24 |
