Spektraris NMR
11,12,14-Trihydroxyabieta-8,11,13-triene-7-one
Common Name: 11,12,14-Trihydroxyabieta-8,11,13-triene-7-one
Synonyms: 11,12,14-Trihydroxyabieta-8,11,13-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10,12,22-24H,6-9H2,1-5H3/t12-,20-/m0/s1
InChIKey: InChIKey=DECBSGPKFYQQFD-YUNKPMOVSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Tseng, M.H., Kuo, Y.H. Chem Pharm Bull (2005) 53, 286-9
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 (CH2) | 37.4 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 40.8 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 35.5 |
| 7 (C) | 204.5 |
| 8 (C) | 108.8 |
| 9 (C) | 137.3 |
| 10 (C) | 40.3 |
| 11 (C) | 132.7 |
| 12 (C) | 151.8 |
| 13 (C) | 118.4 |
| 14 (C) | 159.5 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 21.6 |
| 18 (CH3) | 33 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 19 |
