Spektraris NMR
7beta-Hydroxy-2-oxodehydroabietanol
Common Name: 7beta-Hydroxy-2-oxodehydroabietanol
Synonyms: 7beta-Hydroxy-2-oxodehydroabietanol
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)13-5-6-16-15(7-13)17(23)8-18-19(3,11-21)9-14(22)10-20(16,18)4/h5-7,12,17-18,21,23H,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=JJRLRHHBLCRLNC-LWYYNNOASA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Hernandez, M.G., Artega, J.M., Suarez, S. Phytochemistry (2003) 63, 663-8
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) | 54 |
| 2 (C) | 211.1 |
| 3 (CH2) | 49.9 |
| 4 (C) | 42 |
| 5 (CH) | 40.7 |
| 6 (CH2) | 30.2 |
| 7 (CH) | 70.5 |
| 8 (C) | 137.6 |
| 9 (C) | 144 |
| 10 (C) | 42.2 |
| 11 (CH) | 124.7 |
| 12 (CH) | 126.2 |
| 13 (C) | 147.1 |
| 14 (CH) | 124.9 |
| 15 (CH) | 33.6 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.9 |
| 18 (CH2) | 69.6 |
| 19 (CH3) | 19.1 |
| 20 (CH3) | 26.8 |
