Spektraris NMR
Abieta-8,13-diene-11,12-dione
Common Name: Abieta-8,13-diene-11,12-dione
Synonyms: Abieta-8,13-diene-11,12-dione
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h11-12,15H,6-10H2,1-5H3/t15-,20-/m0/s1
InChIKey: InChIKey=IWGYVGCSDMHADO-YWZLYKJASA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Sonmez, U., Choudhary, M.I., Attaurrahman. Phytochemistry (1995) 40, 861-4
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) | 37 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 40.8 |
| 4 (C) | 33.4 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 148.3 |
| 9 (C) | 154 |
| 10 (C) | 39.3 |
| 11 (C) | 182 |
| 12 (C) | 182 |
| 13 (C) | 136 |
| 14 (CH) | 118.3 |
| 15 (CH) | 25 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 22 |
| 20 (CH3) | 20.1 |
