Spektraris NMR
2''-O-(3''',4'''-Dimethoxybenzoyl)orientin
Common Name: 2''-O-(3''',4'''-Dimethoxybenzoyl)orientin
Synonyms: 2''-O-(3''',4'''-Dimethoxybenzoyl)orientin
CAS Registry Number:
InChI: InChI=1S/C30H28O14/c1-40-19-6-4-13(8-21(19)41-2)30(39)44-29-26(38)25(37)22(11-31)43-28(29)24-17(35)9-16(34)23-18(36)10-20(42-27(23)24)12-3-5-14(32)15(33)7-12/h3-10,22,25-26,28-29,31-35,37-38H,11H2,1-2H3/t22-,25-,26+,28+,29-/m1/s1
InChIKey: InChIKey=DZMBDBKFGSMXBR-QOXRKEBUSA-N
Formula: C30H28O14
Molecular Weight: 612.536087
Exact Mass: 612.147906
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) | 164.2 |
| 3 (CH) | 102.7 |
| 4 (C) | 181.9 |
| 5 (C) | 160.4 |
| 6 (CH) | 97.7 |
| 7 (C) | 162 |
| 8 (C) | 102.4 |
| 9 (C) | 156.4 |
| 10 (C) | 103.9 |
| 1' (C) | 122.1 |
| 2' (CH) | 114.1 |
| 3' (C) | 145.8 |
| 4' (C) | 149.6 |
| 5' (CH) | 115.8 |
| 6' (CH) | 119.6 |
| 1'' (CH) | 71.1 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 75.9 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 82.3 |
| 6'' (CH2) | 61.3 |
| 2''a (C) | 164.7 |
| 2''b (C) | 122.1 |
| 2''c (CH) | 111.6 |
| 2''d (C) | 148.2 |
| 2''e (C) | 152.7 |
| 2''f (CH) | 110.9 |
| 2''g (CH) | 123.1 |
| 2''h (CH3) | 55.5 |
| 2''i (CH3) | 55.7 |
