Spektraris NMR
Thymonin acetonide
Common Name: Thymonin acetonide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O5/c1-15-10-19-23(14-24)17(13-27-21(2,3)28-19)6-5-7-18(23)22(15,4)9-8-16-11-20(25)26-12-16/h6,11,15,18-19,24H,5,7-10,12-14H2,1-4H3/t15-,18-,19-,22+,23+/m1/s1
InChIKey: InChIKey=URZUILVYMXCZFQ-XAFIUENHSA-N
Formula: C23H34O5
Molecular Weight: 390.513936
Exact Mass: 390.240624
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) | 26.1 |
| 3 (CH) | 127.9 |
| 4 (C) | 140.9 |
| 5 (C) | 46.1 |
| 6 (CH) | 75.1 |
| 7 (CH2) | 34.5 |
| 8 (CH) | 35.7 |
| 9 (C) | 37.9 |
| 10 (CH) | 45.4 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 22.2 |
| 13 (C) | 170.3 |
| 14 (CH) | 115.2 |
| 15 (C) | 173.7 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 68.4 |
| 19 (CH2) | 64.6 |
| 20 (CH3) | 18.2 |
| 18a (C) | 101.5 |
| 18b (CH3) | 24.4 |
| 18c (CH3) | 24.2 |
