Spektraris NMR
Theraphin A
Common Name: Theraphin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-5-7-15(23)18-20(26)12(9-8-11(3)4)19(25)17-13(14(22)6-2)10-16(24)27-21(17)18/h8,10,14,22,25-26H,5-7,9H2,1-4H3/t14-/m0/s1
InChIKey: InChIKey=IQEXTUNPLYDHAD-AWEZNQCLSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, K.H., Chai, H.B., Tamez, P.A., Pezzuto, J.M., Cordell, G.A., Win, K.K., Tin-Wa, M. Phytochemistry (2003) 64, 535-41
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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 |
|---|---|
| 2 (C) | 161 |
| 3 (CH) | 108.8 |
| 4 (C) | 157.1 |
| 5 (C) | 157.6 |
| 6 (C) | 115 |
| 7 (C) | 166.8 |
| 8 (C) | 103.8 |
| 9 (C) | 156.1 |
| 10 (C) | 100.7 |
| 1' (CH) | 78.5 |
| 2' (CH2) | 27.4 |
| 3' (CH3) | 10.5 |
| 6a (CH2) | 22 |
| 6b (CH) | 121.3 |
| 6c (C) | 133.3 |
| 6d (CH3) | 17.9 |
| 6e (CH3) | 25.8 |
| 8a (C) | 205 |
| 8b (CH2) | 46.8 |
| 8c (CH2) | 17.9 |
| 8d (CH3) | 13.8 |
