Spektraris NMR
2''-O-p-hydroxybenzoylorientin
Common Name: 2''-O-p-hydroxybenzoylorientin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O13/c29-10-20-23(36)24(37)27(41-28(38)11-1-4-13(30)5-2-11)26(40-20)22-17(34)8-16(33)21-18(35)9-19(39-25(21)22)12-3-6-14(31)15(32)7-12/h1-9,20,23-24,26-27,29-34,36-37H,10H2/t20-,23-,24+,26+,27-/m1/s1
InChIKey: InChIKey=VEKZKYQEOBRVSP-MNSCYGPMSA-N
Formula: C28H24O13
Molecular Weight: 568.483447
Exact Mass: 568.121691
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Sridhar, C., Rao, K.V., Subbaraju, G.V. Phytochemistry (2005) 66, 1707-12
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) | 164.6 |
| 3 (CH) | 102.9 |
| 4 (C) | 182.4 |
| 5 (C) | 161 |
| 6 (CH) | 98.1 |
| 7 (C) | 162.5 |
| 8 (C) | 104.3 |
| 9 (C) | 156.8 |
| 10 (C) | 102.8 |
| 1' (C) | 122.4 |
| 2' (CH) | 114.5 |
| 3' (C) | 146.3 |
| 4' (C) | 150.1 |
| 5' (CH) | 116.2 |
| 6' (CH) | 119.9 |
| 1'' (CH) | 71.6 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 82.7 |
| 6'' (CH2) | 61.8 |
| 1''' (C) | 120.9 |
| 2''' (CH) | 131.8 |
| 3''' (CH) | 115.5 |
| 4''' (C) | 162.1 |
| 5''' (CH) | 115.5 |
| 6''' (CH) | 131.8 |
| 7''' (C) | 165.1 |
