Spektraris NMR
Tawaninal
Common Name: Tawaninal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10(2)12-8-11(9-21)14-16(15(12)23)25-18(24)17-19(3,4)13(22)6-7-20(14,17)5/h8-10,13,17-18,22-24H,6-7H2,1-5H3/t13-,17-,18+,20+/m0/s1
InChIKey: InChIKey=VJKPKHCYTDHLAE-RDOJZNBBSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chyu, C.F., Lin, H.C., Kuo, Y.H. Chem Pharm Bull (2005) 53, 11-4
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) | 41.8 |
| 2 (CH2) | 29.3 |
| 3 (CH) | 80 |
| 4 (C) | 39.7 |
| 5 (CH) | 53.6 |
| 6 (CH) | 93.2 |
| 7 (CH) | 191.8 |
| 8 (C) | 128.1 |
| 9 (C) | 134.1 |
| 10 (C) | 37.1 |
| 11 (C) | 139.1 |
| 12 (C) | 149.2 |
| 13 (C) | 132.3 |
| 14 (CH) | 124.4 |
| 15 (CH) | 28 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 23.2 |
