Spektraris NMR
2''-O-(3''',4'''-Dimethoxybenzoyl)vitexin
Common Name: 2''-O-(3''',4'''-Dimethoxybenzoyl)vitexin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H28O13/c1-39-19-8-5-14(9-21(19)40-2)30(38)43-29-26(37)25(36)22(12-31)42-28(29)24-17(34)10-16(33)23-18(35)11-20(41-27(23)24)13-3-6-15(32)7-4-13/h3-11,22,25-26,28-29,31-34,36-37H,12H2,1-2H3/t22-,25-,26+,28+,29-/m1/s1
InChIKey: InChIKey=MRJNVGUJHUWETF-QOXRKEBUSA-N
Formula: C30H28O13
Molecular Weight: 596.536682
Exact Mass: 596.152991
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zou, J.H., Yang, J., Zhou, L. J Nat Prod (2004) 67, 664-7
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) | 164.1 |
| 3 (CH) | 102.6 |
| 4 (C) | 182 |
| 5 (C) | 160.7 |
| 6 (CH) | 97.8 |
| 7 (C) | 162.1 |
| 8 (C) | 102.4 |
| 9 (C) | 156.3 |
| 10 (C) | 103.9 |
| 1' (C) | 121.6 |
| 2' (CH) | 129.1 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.3 |
| 5' (CH) | 115.9 |
| 6' (CH) | 129.1 |
| 1'' (CH) | 71 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 75.9 |
| 4'' (CH) | 70.6 |
| 5'' (CH) | 82.1 |
| 6'' (CH2) | 61 |
| 2''a (C) | 164.7 |
| 2''b (C) | 122 |
| 2''c (CH) | 111.6 |
| 2''d (C) | 148.2 |
| 2''e (C) | 152.7 |
| 2''f (CH) | 110.9 |
| 2''g (CH) | 123 |
| 2''h (CH3) | 55.5 |
| 2''i (CH3) | 55.7 |
