Spektraris NMR
15-Hydroxy-18-acetoxyabieta-8,11,13-triene-7-one
Common Name: 15-Hydroxy-18-acetoxyabieta-8,11,13-triene-7-one
Synonyms: 15-Hydroxy-18-acetoxyabieta-8,11,13-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14(23)26-13-21(4)9-6-10-22(5)17-8-7-15(20(2,3)25)11-16(17)18(24)12-19(21)22/h7-8,11,19,25H,6,9-10,12-13H2,1-5H3/t19-,21-,22+/m0/s1
InChIKey: InChIKey=OZJHKGBWQRXAMH-ILWGZMRPSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
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) | 37.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 35.2 |
| 4 (C) | 37.7 |
| 5 (CH) | 43.2 |
| 6 (CH2) | 36 |
| 7 (C) | 198.8 |
| 8 (C) | 130.4 |
| 9 (C) | 154.2 |
| 10 (C) | 36.6 |
| 11 (CH) | 123.7 |
| 12 (CH) | 130.6 |
| 13 (C) | 147.2 |
| 14 (CH) | 123.1 |
| 15 (C) | 72.3 |
| 16 (CH3) | 31.6 |
| 17 (CH3) | 31.7 |
| 18 (CH2) | 71.6 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 23.9 |
| 18a (C) | 171 |
| 18b (CH3) | 20.9 |
