Spektraris NMR
Tsangin B
Common Name: Tsangin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O9/c1-12(13(2)24)20(14-7-18(28-5)22-19(8-14)30-11-31-22)32-23(25)15-9-16(26-3)21(29-6)17(10-15)27-4/h7-10,12,20H,11H2,1-6H3/t12-,20-/m1/s1
InChIKey: InChIKey=YCTJYKCWSVOSFW-MPBGBICISA-N
Formula: C23H26O9
Molecular Weight: 446.44803
Exact Mass: 446.157682
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.J., Chou, E.T., Duh, C.Y., Yang, S.Z., Chen, I.S. Planta Med (2006) 72, 351-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Miscellanea; 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) | 132.7 |
| 2 (CH) | 107 |
| 3 (C) | 144.2 |
| 4 (C) | 135.1 |
| 5 (C) | 149 |
| 6 (CH) | 101.6 |
| 7 (CH) | 76.8 |
| 8 (CH) | 52.8 |
| 9 (C) | 208.7 |
| 10 (CH3) | 29.8 |
| 1' (C) | 124.8 |
| 2' (CH) | 107 |
| 3' (C) | 153 |
| 4' (C) | 143.4 |
| 5' (C) | 153 |
| 6' (CH) | 107 |
| 7' (C) | 165.1 |
| 3a (CH3) | 56.7 |
| 4a (CH2) | 101.6 |
| 8a (CH3) | 12.9 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 60.9 |
| 5'a (CH3) | 56.3 |
