Spektraris NMR
7-a-Hydroxyfagonene
Common Name: 7-a-Hydroxyfagonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13-6-5-7-16-19(3)9-8-18(2,17(23)12-21)10-14(19)15(22)11-20(13,16)4/h6,14-17,21-23H,5,7-12H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=HMVFDPGLOYWHCR-RVXCPRFISA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelkader, M.S., Omar, A.A., Abdelsalam, N.A., Stermitz, F.R. Phytochemistry (1994) 36, 1431-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxanes; 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) | 18.9 |
| 2 (CH2) | 38.7 |
| 3 (CH) | 122.7 |
| 4 (C) | 142 |
| 5 (C) | 37 |
| 6 (CH2) | 44.3 |
| 7 (CH) | 73 |
| 8 (CH) | 44.7 |
| 9 (C) | 38.6 |
| 10 (CH) | 54 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 30.5 |
| 13 (C) | 37.9 |
| 14 (CH2) | 34.4 |
| 15 (CH) | 82.8 |
| 16 (CH2) | 63.5 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 21.6 |
| 19 (CH3) | 35 |
| 20 (CH3) | 15.9 |
