Spektraris NMR
isoetin-7-O-b-D-glucopyranosyl-2'-O-a-L-arabinopyranoside
Common Name: isoetin-7-O-b-D-glucopyranosyl-2'-O-a-L-arabinopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O16/c27-6-18-21(34)22(35)24(37)26(42-18)39-8-1-12(30)19-13(31)5-15(40-17(19)2-8)9-3-10(28)11(29)4-16(9)41-25-23(36)20(33)14(32)7-38-25/h1-5,14,18,20-30,32-37H,6-7H2/t14-,18+,20-,21+,22-,23+,24+,25-,26+/m0/s1
InChIKey: InChIKey=AANLEWIAEUDQBM-IVFGNANZSA-N
Formula: C26H28O16
Molecular Weight: 596.491953
Exact Mass: 596.137735
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Shi, S.Y., Zhou, Q., Peng, H., Zhou, C.X., Hu, M.H., Tao, Q.F., Hao, X.J., Stˆkigt, J., Zhao, Y. Chin Chem Lett (2007) 18, 1367-70
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 161.8 |
| 3 (CH) | 108.9 |
| 4 (C) | 182.4 |
| 5 (C) | 161.4 |
| 6 (CH) | 99.5 |
| 7 (C) | 163.1 |
| 8 (CH) | 94.7 |
| 9 (C) | 157.9 |
| 10 (C) | 105.4 |
| 1' (C) | 110.6 |
| 2' (CH) | 114.8 |
| 3' (C) | 140.6 |
| 4' (C) | 150.4 |
| 5' (CH) | 104.4 |
| 6' (C) | 150.4 |
| 1'' (CH) | 100 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 69.7 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60.8 |
| 1''' (CH) | 101.8 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 70.7 |
| 4''' (CH) | 67.3 |
| 5''' (CH2) | 65.4 |
