Spektraris NMR
Taraxafolide
Common Name: Taraxafolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O10/c1-7-4-9(23)12-8(2)5-10(14-18(13(7)12)31-20(27)21(14,3)28)29-19-17(26)16(25)15(24)11(6-22)30-19/h4,10-11,13-19,22,24-26,28H,5-6H2,1-3H3/t10-,11-,13+,14-,15-,16+,17-,18-,19-,21-/m1/s1
InChIKey: InChIKey=FWVFDSSONHZOLQ-PJYHGTLHSA-N
Formula: C21H28O10
Molecular Weight: 440.441844
Exact Mass: 440.168247
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Leu, Y.L., Wang, Y.L., Huang, S.C., Shi, L.S. Chem Pharm Bull (2005) 53, 853-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 13 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 (C) | 133 |
| 2 (C) | 199.3 |
| 3 (CH) | 134.8 |
| 4 (C) | 174.6 |
| 5 (CH) | 51 |
| 6 (CH) | 81.8 |
| 7 (CH) | 60.6 |
| 8 (CH) | 75 |
| 9 (CH2) | 45.5 |
| 10 (C) | 149.3 |
| 11 (C) | 74.7 |
| 12 (C) | 178.8 |
| 13 (CH3) | 22.9 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 19.3 |
| 1' (CH) | 103.6 |
| 2' (CH) | 73.8 |
| 3' (CH) | 69.6 |
| 4' (CH) | 76.1 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 60.9 |
