Spektraris NMR
Dracocequinone B
Common Name: Dracocequinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-8(2)12-16(22)14-10(21)7-9-13(15(14)17(23)18(12)25-4)11-5-6-20(9,3)19(24)26-11/h7-8,11,21H,5-6H2,1-4H3/t11?,20-/m0/s1
InChIKey: InChIKey=MAQUDGJJTABTQP-XRDRKEPISA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama, N., Kiuchi, F., Ito, M., Honda, G., Takeda, Y., Khodzhimatov, O.K., Ashurmetov, O.A. Tetrahedron (2006) 62, 4355-9
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 (CH) | 73.1 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 29.2 |
| 4 (C) | 45.1 |
| 5 (C) | 149.2 |
| 6 (CH) | 118.2 |
| 7 (C) | 162 |
| 8 (C) | 113 |
| 9 (C) | 125.7 |
| 10 (C) | 130.3 |
| 11 (C) | 182.9 |
| 12 (C) | 159 |
| 13 (C) | 139.2 |
| 14 (C) | 190.9 |
| 15 (CH) | 24.4 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 16.2 |
| 19 (C) | 174.2 |
| 12a (CH3) | 61.1 |
