Spektraris NMR
(1beta,4alpha,5beta,6alpha,7alpha,9beta,10beta)-9-Acetoxy-10-hydroxyaromadendrane
Common Name: (1beta,4alpha,5beta,6alpha,7alpha,9beta,10beta)-9-Acetoxy-10-hydroxyaromadendrane
Synonyms: (1beta,4alpha,5beta,6alpha,7alpha,9beta,10beta)-9-Acetoxy-10-hydroxyaromadendrane
CAS Registry Number:
InChI: InChI=1S/C17H28O3/c1-9-6-7-11-14(9)15-12(16(15,3)4)8-13(17(11,5)19)20-10(2)18/h9,11-15,19H,6-8H2,1-5H3/t9-,11+,12-,13+,14-,15-,17-/m1/s1
InChIKey: InChIKey=TYWRJVBSOAOFGB-JQRLLJCNSA-N
Formula: C17H28O3
Molecular Weight: 280.403066
Exact Mass: 280.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Zapp, J., Becker, H. Phytochemistry (2003) 64, 1335-40
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (CH) | 56 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 28.7 |
| 4 (CH) | 38.1 |
| 5 (CH) | 39.3 |
| 6 (CH) | 22.3 |
| 7 (CH) | 23.5 |
| 8 (CH2) | 26.5 |
| 9 (CH) | 76.9 |
| 10 (C) | 75.7 |
| 11 (C) | 19.1 |
| 12 (CH3) | 15.9 |
| 13 (CH3) | 28.5 |
| 14 (CH3) | 27.7 |
| 15 (CH3) | 16.1 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.2 |
