Spektraris NMR
6alpha-Hydroxyabieta-8,13-diene-11,12-dione
Common Name: 6alpha-Hydroxyabieta-8,13-diene-11,12-dione
Synonyms: 6alpha-Hydroxyabieta-8,13-diene-11,12-dione
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9,11,14,18,21H,6-8,10H2,1-5H3/t14-,18-,20+/m0/s1
InChIKey: InChIKey=IGPPRRDOMAYGCU-ADLFWFRXSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tan, N., Topcu, G., Ulubelen, A. Phytochemistry (1998) 49, 175-8
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) | 36.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 40.9 |
| 4 (C) | 31.8 |
| 5 (CH) | 48.8 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 42.5 |
| 8 (C) | 148.8 |
| 9 (C) | 153.3 |
| 10 (C) | 38.9 |
| 11 (C) | 182.4 |
| 12 (C) | 183.6 |
| 13 (C) | 136 |
| 14 (CH) | 132.3 |
| 15 (CH) | 26 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 19.9 |
