Spektraris NMR
Taiwaniaquinone B
Common Name: Taiwaniaquinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10(2)11-14(22)13-12(16(24)15(11)23)19(5)8-6-7-18(3,4)17(19)20(13,25)9-21/h9-10,17,23,25H,6-8H2,1-5H3/t17-,19+,20+/m0/s1
InChIKey: InChIKey=MUCQXNOARDXHSK-DFQSSKMNSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1995) 40, 871-3
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) | 35.8 |
| 2 (CH2) | 20.2 |
| 3 (CH2) | 44.1 |
| 4 (C) | 35.1 |
| 5 (CH) | 62.1 |
| 6 (CH) | 203.7 |
| 7 (C) | 88.4 |
| 8 (C) | 148.8 |
| 9 (C) | 155.1 |
| 10 (C) | 50.2 |
| 11 (C) | 182.8 |
| 12 (C) | 154.3 |
| 13 (C) | 125 |
| 14 (C) | 186.1 |
| 15 (CH) | 24.9 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.4 |
| 18 (CH3) | 34.8 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 22.8 |
