Spektraris NMR
11,14-dihydroxy-12-methoxy-7-oxo-8,11,13-abietatrien-19,20-olide
Common Name: 11,14-dihydroxy-12-methoxy-7-oxo-8,11,13-abietatrien-19,20-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-10(2)13-16(23)14-11(22)8-12-20(3)6-5-7-21(12,9-27-19(20)25)15(14)17(24)18(13)26-4/h10,12,23-24H,5-9H2,1-4H3/t12-,20-,21+/m0/s1
InChIKey: InChIKey=MOVDBBMNRKQFTQ-IOSSYPJHSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Araujo, E.C.C., Lima, M.A.S., Nunes, E.P., Silveira, E.R. J Braz Chem Soc (2005) 16, 1336-41
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) | 35.1 |
| 2 (CH2) | 21.4 |
| 3 (CH2) | 40.6 |
| 4 (C) | 43.1 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 37.1 |
| 7 (C) | 202.4 |
| 8 (C) | 112.4 |
| 9 (C) | 126.5 |
| 10 (C) | 33.8 |
| 11 (C) | 140.4 |
| 12 (C) | 153 |
| 13 (C) | 128.6 |
| 14 (C) | 158.9 |
| 15 (CH) | 26.6 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 23.4 |
| 19 (C) | 175.6 |
| 20 (CH2) | 72.8 |
| 12a (CH3) | 62.7 |
