Spektraris NMR
Isorhamnetin 3-O-(6''-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside; isorhamnetin 3-rutinoside
Common Name: Isorhamnetin 3-O-(6''-O-a-L-rhamnopyransoyl)-b-D-glucopyranoside; isorhamnetin 3-rutinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
InChIKey: InChIKey=UIDGLYUNOUKLBM-GEBJFKNCSA-N
Formula: C28H32O16
Molecular Weight: 624.545188
Exact Mass: 624.169035
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lu, Y., Sun, Y., Foo, L.Y., McNabb, W.C., Molan, A.L. Phytochemistry (2000) 55, 67-75
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) | 156.84 |
| 3 (C) | 133.38 |
| 4 (C) | 177.67 |
| 5 (C) | 161.54 |
| 6 (CH) | 99.14 |
| 7 (C) | 164.71 |
| 8 (CH) | 94.17 |
| 9 (C) | 156.84 |
| 10 (C) | 104.29 |
| 1' (C) | 121.41 |
| 2' (CH) | 113.66 |
| 3' (C) | 149.77 |
| 4' (C) | 147.25 |
| 5' (CH) | 115.6 |
| 6' (CH) | 122.64 |
| 1'' (CH) | 101.57 |
| 2'' (CH) | 74.65 |
| 3'' (CH) | 76.3 |
| 4'' (CH) | 70.97 |
| 5'' (CH) | 76.77 |
| 6'' (CH2) | 67.21 |
| 1''' (CH) | 101.23 |
| 2''' (CH) | 70.68 |
| 3''' (CH) | 70.48 |
| 4''' (CH) | 72.18 |
| 5''' (CH) | 68.63 |
| 6''' (CH3) | 18.04 |
| 3'a (CH3) | 56.03 |
