Spektraris NMR
isoetin-7-O-b-D-glucopyranosyl-2'-O-a-D-glucopyranoside
Common Name: isoetin-7-O-b-D-glucopyranosyl-2'-O-a-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c28-6-17-20(34)22(36)24(38)26(43-17)40-8-1-12(32)19-13(33)5-14(41-16(19)2-8)9-3-10(30)11(31)4-15(9)42-27-25(39)23(37)21(35)18(7-29)44-27/h1-5,17-18,20-32,34-39H,6-7H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey: InChIKey=VCOJBFCTVFLGNN-IPOZFMEPSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
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) | 182.2 |
| 5 (C) | 161.3 |
| 6 (CH) | 99.5 |
| 7 (C) | 163 |
| 8 (CH) | 94.7 |
| 9 (C) | 157.2 |
| 10 (C) | 105.4 |
| 1' (C) | 110.4 |
| 2' (CH) | 114.7 |
| 3' (C) | 140.5 |
| 4' (C) | 150.4 |
| 5' (CH) | 104.7 |
| 6' (C) | 150.4 |
| 1'' (CH) | 100.1 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 69.7 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60.8 |
| 1''' (CH) | 101.3 |
| 2''' (CH) | 73.5 |
| 3''' (CH) | 76.9 |
| 4''' (CH) | 69.7 |
| 5''' (CH) | 77.3 |
| 6''' (CH2) | 60.8 |
