Spektraris NMR
3,20-epoxy-12-methoxy-8,11,13-abietatriene-3,7,11-trio
Common Name: 3,20-epoxy-12-methoxy-8,11,13-abietatriene-3,7,11-trio
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-11(2)12-8-13-14(22)9-15-19(3,4)21(24)7-6-20(15,10-26-21)16(13)17(23)18(12)25-5/h8,11,14-15,22-24H,6-7,9-10H2,1-5H3/t14-,15+,20-,21+/m1/s1
InChIKey: InChIKey=KUESBQLQDMKBNP-CALQCPNCSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salciccioli, K., Dicosmo, F., Reynolds, W.F. Phytochemistry (1998) 49, 1475-7
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) | 29.9 |
| 2 (CH2) | 29.1 |
| 3 (C) | 98.3 |
| 4 (C) | 39.9 |
| 5 (CH) | 41.1 |
| 6 (CH2) | 27.8 |
| 7 (CH) | 68.8 |
| 8 (C) | 132.1 |
| 9 (C) | 122 |
| 10 (C) | 41.6 |
| 11 (C) | 147.9 |
| 12 (C) | 144.4 |
| 13 (C) | 140.4 |
| 14 (CH) | 119.2 |
| 15 (CH) | 26.4 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 18.1 |
| 20 (CH2) | 66.2 |
| 12a (CH3) | 61.8 |
