Spektraris NMR
6α,7β-Dihydroxyannonene
Common Name: 6α,7β-Dihydroxyannonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-5-7-16-19(3,10-8-15-9-11-23-12-15)14(2)17(21)18(22)20(13,16)4/h6,9,11-12,14,16-18,21-22H,5,7-8,10H2,1-4H3/t14-,16-,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=HAFUEVCORQGSRZ-KXMHTTHWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silveira, E.R., McChesney, J.D. Phytochemistry (1994) 36, 1457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.8 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 122 |
| 4 (C) | 143.4 |
| 5 (C) | 43.4 |
| 6 (CH) | 80.3 |
| 7 (CH) | 74.7 |
| 8 (CH) | 40.9 |
| 9 (C) | 39 |
| 10 (CH) | 44.8 |
| 11 (CH2) | 38.7 |
| 12 (CH2) | 17.7 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.8 |
| 15 (CH) | 142.6 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 11 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 18.9 |
