Spektraris NMR
Thymonin
Common Name: Thymonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13-8-17(23)20(12-22)15(10-21)4-3-5-16(20)19(13,2)7-6-14-9-18(24)25-11-14/h4,9,13,16-17,21-23H,3,5-8,10-12H2,1-2H3/t13-,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=NUDXPVAYRKLZJX-LNNOLSETSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 17.5 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 130.6 |
| 4 (C) | 142.6 |
| 5 (C) | 48.1 |
| 6 (CH) | 75.9 |
| 7 (CH2) | 36.6 |
| 8 (CH) | 34.6 |
| 9 (C) | 38.3 |
| 10 (CH) | 45.6 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 22.1 |
| 13 (C) | 170.5 |
| 14 (CH) | 115.1 |
| 15 (C) | 173.9 |
| 16 (CH2) | 73 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 67.7 |
| 19 (CH2) | 64 |
| 20 (CH3) | 17.9 |
