Spektraris NMR
7β-Hydroxythymonin
Common Name: 7β-Hydroxythymonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-12-17(24)18(25)20(11-22)14(9-21)4-3-5-15(20)19(12,2)7-6-13-8-16(23)26-10-13/h4,8,12,15,17-18,21-22,24-25H,3,5-7,9-11H2,1-2H3/t12-,15-,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=YUFGJYIDPLWPAF-DLFMYMFESA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Ortega, A. Phytochemistry (1997) 46, 1249-54
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) | 17.1 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 127.7 |
| 4 (C) | 142.4 |
| 5 (C) | 47 |
| 6 (CH) | 79.6 |
| 7 (CH) | 72.2 |
| 8 (CH) | 40.4 |
| 9 (C) | 38.3 |
| 10 (CH) | 44.5 |
| 11 (CH2) | 35 |
| 12 (CH2) | 21.4 |
| 13 (C) | 170.5 |
| 14 (CH) | 114 |
| 15 (C) | 173.1 |
| 16 (CH2) | 72.4 |
| 17 (CH3) | 10.5 |
| 18 (CH2) | 65.7 |
| 19 (CH2) | 63.1 |
| 20 (CH3) | 18.4 |
