Spektraris NMR
Taiwaniaquinone E
Common Name: Taiwaniaquinone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-10(2)11-15(22)12-13(19(25)26-6)18-20(3,4)8-7-9-21(18,5)14(12)17(24)16(11)23/h10,13,18,23H,7-9H2,1-6H3/t13-,18-,21+/m0/s1
InChIKey: InChIKey=ASSVIZYNXLMGSM-LTBCBRHQSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 42, 1657-63
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) | 34.3 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.2 |
| 4 (C) | 33.7 |
| 5 (CH) | 62.4 |
| 6 (C) | 174.2 |
| 7 (CH) | 47 |
| 8 (C) | 148.5 |
| 9 (C) | 151.6 |
| 10 (C) | 48 |
| 11 (C) | 181.2 |
| 12 (C) | 151.1 |
| 13 (C) | 124.7 |
| 14 (C) | 185.2 |
| 15 (CH) | 24 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 19.7 |
| 18 (CH3) | 32 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 19.9 |
| 6a (CH3) | 52.3 |
