Spektraris NMR
diacetyl Thymonin
Common Name: diacetyl Thymonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-16-11-23(34-19(4)29)26(15-33-18(3)28)21(14-31-17(2)27)7-6-8-22(26)25(16,5)10-9-20-12-24(30)32-13-20/h7,12,16,22-23H,6,8-11,13-15H2,1-5H3/t16-,22-,23-,25+,26+/m1/s1
InChIKey: InChIKey=VMVPIPABQNRWAZ-CVIQMGSMSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
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) | 133.8 |
| 4 (C) | 136.1 |
| 5 (C) | 44.5 |
| 6 (CH) | 76.9 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 34.2 |
| 9 (C) | 38.2 |
| 10 (CH) | 45.7 |
| 11 (CH2) | 35 |
| 12 (CH2) | 21.9 |
| 13 (C) | 170.5 |
| 14 (CH) | 115.3 |
| 15 (C) | 173.6 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 68.2 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 17.5 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.4 |
| 18a (C) | 171 |
| 18b (CH3) | 21.1 |
| 19a (C) | 169.8 |
| 19b (CH3) | 20.9 |
