Spektraris NMR
Dracocequinone A
Common Name: Dracocequinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-9(2)13-17(22)15-11(21)7-10-14(16(15)18(23)19(13)24-4)12-5-6-20(10,3)8-25-12/h7,9,12,21H,5-6,8H2,1-4H3/t12?,20-/m1/s1
InChIKey: InChIKey=UONRPGXBIDFFQT-VLFLDKFOSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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) | 64.7 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 30.1 |
| 4 (C) | 35.4 |
| 5 (C) | 153.6 |
| 6 (CH) | 117.3 |
| 7 (C) | 161.4 |
| 8 (C) | 112.4 |
| 9 (C) | 124.5 |
| 10 (C) | 134.6 |
| 11 (C) | 183.4 |
| 12 (C) | 159.2 |
| 13 (C) | 138.5 |
| 14 (C) | 191.3 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 18.6 |
| 19 (CH2) | 71.6 |
| 12a (CH3) | 60.9 |
