Spektraris NMR
Acanfolioside
Common Name: Acanfolioside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H48O17/c1-46-21-9-17(10-22(47-2)29(21)40)27-20(19(13-38)7-16-8-25(50-5)32(43)34(51-6)28(16)27)15-52-37-35(33(44)31(42)26(14-39)53-37)54-36(45)18-11-23(48-3)30(41)24(12-18)49-4/h8-12,19-21,26-27,29,31,33,35,37-44H,7,13-15H2,1-6H3/t19-,20-,21?,26+,27+,29?,31+,33-,35+,37+/m0/s1
InChIKey: InChIKey=PNZKOKYAFPBUIS-BOLZPPILSA-N
Formula: C37H48O17
Molecular Weight: 764.768268
Exact Mass: 764.28915
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kanchanapoom T., Kamel M.S., Kasai R., Yamasaki K., Picheansoonthon C., Hiraga Y. Phytochemistry (2001) 56, 369-72
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 33.2 |
| 2 (CH) | 40.4 |
| 3 (CH) | 45.3 |
| 4 (CH) | 41.8 |
| 5 (C) | 147.8 |
| 6 (C) | 139.3 |
| 7 (C) | 148.1 |
| 8 (CH) | 107.3 |
| 9 (C) | 129.2 |
| 10 (C) | 126 |
| 1' (CH) | 102.2 |
| 2' (CH) | 75.8 |
| 3' (CH) | 76.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.6 |
| 2a (CH2) | 65.6 |
| 3a (CH2) | 71.1 |
| 4a (C) | 138 |
| 4b (CH) | 107.1 |
| 4c (C) | 148.7 |
| 4d (CH) | 135.6 |
| 4e (CH) | 148.7 |
| 4f (CH) | 107.1 |
| 4ac (CH3) | 56.4 |
| 4ae (CH3) | 56.4 |
| 5a (CH3) | 59.5 |
| 7a (CH3) | 55.9 |
| 2'a (C) | 166.4 |
| 2'b (C) | 120.6 |
| 2'c (CH) | 108.4 |
| 2'd (C) | 148.5 |
| 2'e (C) | 142.6 |
| 2'f (C) | 148.5 |
| 2'g (CH) | 108.4 |
| 2'ad (CH3) | 56.1 |
| 2'af (CH3) | 56.1 |
