Spektraris NMR
Isorhamnetin-3-O-neohespeidoside
Common Name: Isorhamnetin-3-O-neohespeidoside
Synonyms: Isorhamnetin-3-O-neohespeidoside
CAS Registry Number:
InChI: InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m0/s1
InChIKey: InChIKey=QHLKSZBFIJJREC-SPSUIZEHSA-N
Formula: C28H32O16
Molecular Weight: 624.545188
Exact Mass: 624.169035
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Kondo, T. Phytochemistry (1999) 51, 1113-9
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) | 156.4 |
| 3 (C) | 132.9 |
| 4 (C) | 177.6 |
| 5 (C) | 161.3 |
| 6 (CH) | 98.9 |
| 7 (C) | 164.3 |
| 8 (CH) | 93.9 |
| 9 (C) | 156.7 |
| 10 (C) | 104.4 |
| 1' (C) | 121.5 |
| 2' (CH) | 113.8 |
| 3' (C) | 147.1 |
| 4' (C) | 149.5 |
| 5' (CH) | 115.4 |
| 6' (CH) | 122.1 |
| 1'' (CH) | 98.7 |
| 2'' (CH) | 78 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 70.8 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 60.7 |
| 1''' (CH) | 101 |
| 2''' (CH) | 70.3 |
| 3''' (CH) | 70.8 |
| 4''' (CH) | 72 |
| 5''' (CH) | 68.6 |
| 6''' (CH3) | 17.2 |
| 3'a (CH3) | 55.9 |
