Spektraris NMR
3beta,11-Dihydroxy-12-methoxyabieta-8,11,13-triene-7-one
Common Name: 3beta,11-Dihydroxy-12-methoxyabieta-8,11,13-triene-7-one
Synonyms: 3beta,11-Dihydroxy-12-methoxyabieta-8,11,13-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-11(2)12-9-13-14(22)10-15-20(3,4)16(23)7-8-21(15,5)17(13)18(24)19(12)25-6/h9,11,15-16,23-24H,7-8,10H2,1-6H3/t15-,16-,21-/m0/s1
InChIKey: InChIKey=RBOFUIKHKQRVJQ-QYWGDWMGSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monacelli, B., Pasqua, G., Botta, B., Vinciguerra, V., Gacs-Baitz, E., Monache, G.D. Planta Med (2002) 68, 764-6
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) | 34.64 |
| 2 (CH2) | 27.83 |
| 3 (CH) | 78 |
| 4 (C) | 39.83 |
| 5 (CH) | 49.56 |
| 6 (CH2) | 35.3 |
| 7 (C) | 198.72 |
| 8 (C) | 128.54 |
| 9 (C) | 137.2 |
| 10 (C) | 39.11 |
| 11 (C) | 146.16 |
| 12 (C) | 149.18 |
| 13 (C) | 139.36 |
| 14 (CH) | 117.46 |
| 15 (CH) | 26.69 |
| 16 (CH3) | 23.55 |
| 17 (CH3) | 23.46 |
| 18 (CH3) | 27.95 |
| 19 (CH3) | 15.29 |
| 20 (CH3) | 17.96 |
| 12a (CH3) | 61.88 |
