Spektraris NMR
7alpha,15-Dihydroxyabieta-8,11,13-triene-18-al
Common Name: 7alpha,15-Dihydroxyabieta-8,11,13-triene-18-al
Synonyms: 7alpha,15-Dihydroxyabieta-8,11,13-triene-18-al
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3/t16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=ABBATNXLJVFXOI-LCLWPZTBSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ohtsu, H., Tanaka, R., Matsunaga, S. J Nat Prod (1998) 61, 1307-9
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) | 37.5 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 31.9 |
| 4 (C) | 49.2 |
| 5 (CH) | 37.3 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 67.8 |
| 8 (C) | 135.7 |
| 9 (C) | 147.1 |
| 10 (C) | 36.7 |
| 11 (CH) | 124.3 |
| 12 (CH) | 124.9 |
| 13 (C) | 147 |
| 14 (CH) | 126 |
| 15 (C) | 72.3 |
| 16 (CH3) | 31.6 |
| 17 (CH3) | 31.7 |
| 18 (CH) | 206.2 |
| 19 (CH3) | 14 |
| 20 (CH3) | 24.3 |
