Spektraris NMR
triacetyl Thymonin
Common Name: triacetyl Thymonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-15-23(35-18(4)29)24(31)26(14-34-17(3)28)20(13-32-16(2)27)7-6-8-21(26)25(15,5)10-9-19-11-22(30)33-12-19/h7,11,15,21,23-24,31H,6,8-10,12-14H2,1-5H3/t15-,21-,23+,24-,25+,26+/m1/s1
InChIKey: InChIKey=QQUXECAHYZGIOL-RJEUYBRJSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
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) | 17.7 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 130 |
| 4 (C) | 137.2 |
| 5 (C) | 46.8 |
| 6 (CH) | 77.5 |
| 7 (CH) | 76.6 |
| 8 (CH) | 39.9 |
| 9 (C) | 39.1 |
| 10 (CH) | 44.9 |
| 11 (CH2) | 35.6 |
| 12 (CH2) | 22.1 |
| 13 (C) | 172 |
| 14 (CH) | 115.6 |
| 15 (C) | 173.5 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 11.1 |
| 18 (CH2) | 67.1 |
| 19 (CH2) | 63.6 |
| 20 (CH3) | 18.2 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.2 |
| 18a (C) | 169.4 |
| 18b (CH3) | 21.1 |
| 19a (C) | 169.4 |
| 19b (CH3) | 21 |
