Spektraris NMR
Dracocephalone A
Common Name: Dracocephalone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10(2)13-16(22)14-11(21)8-12-19(3)6-5-7-20(12,25-9-19)15(14)17(23)18(13)24-4/h10,12,22-23H,5-9H2,1-4H3/t12-,19+,20+/m0/s1
InChIKey: InChIKey=BOZXUXQCVSWDBD-NXXCRTJYSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama N., Kiuchi F., Ito M., Honda G., Takeda Y., Khodzhimatov O.K., Ashurmetov O.A. J Nat Prod (2003) 66, 128-31
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) | 35.5 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 39 |
| 4 (C) | 43.7 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 36.3 |
| 7 (C) | 203.1 |
| 8 (C) | 111.7 |
| 9 (C) | 124.4 |
| 10 (C) | 83 |
| 11 (C) | 140.7 |
| 12 (C) | 154.1 |
| 13 (C) | 128.8 |
| 14 (C) | 155.9 |
| 15 (CH) | 25.5 |
| 16 (CH3) | 20.5 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 18.6 |
| 19 (CH2) | 78.1 |
| 12a (CH3) | 61.6 |
