Spektraris NMR
Isorhamnetin 3,4'-di-O-β-D-glucopyranoside
Common Name: Isorhamnetin 3,4'-di-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
InChIKey: InChIKey=VKVBSQRURLRCHO-QDYVESOYSA-N
Formula: C28H32O17
Molecular Weight: 640.544593
Exact Mass: 640.16395
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Nielsen, J.K., Kondo, T. Phytochemistry (1999) 51, 1139-46
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 156.1 |
| 3 (C) | 133.9 |
| 4 (C) | 177.8 |
| 5 (C) | 161.5 |
| 6 (CH) | 99 |
| 7 (C) | 164.5 |
| 8 (CH) | 94.1 |
| 9 (C) | 156.9 |
| 10 (C) | 104.6 |
| 1' (C) | 124.1 |
| 2' (CH) | 113.9 |
| 3' (C) | 148.5 |
| 4' (C) | 148.9 |
| 5' (CH) | 115 |
| 6' (CH) | 121.8 |
| 1'' (CH) | 56 |
| 2'' (CH) | 101.2 |
| 3'' (CH) | 74.6 |
| 4'' (CH) | 76.6 |
| 5'' (CH) | 70.1 |
| 6'' (CH2) | 77.8 |
| 1''' (CH) | 60.9 |
| 2''' (CH) | 100 |
| 3''' (CH) | 73.4 |
| 4''' (CH) | 77 |
| 5''' (CH) | 69.8 |
| 6''' (CH2) | 77.4 |
| 3'a (CH3) | 60.9 |
