Spektraris NMR
3',7-Dihydroxy-4',5,6-trimethoxyisoflavone 7-O-(5-O-trans-p-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Common Name: 3',7-Dihydroxy-4',5,6-trimethoxyisoflavone 7-O-(5-O-trans-p-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H40O18/c1-48-23-10-7-19(12-22(23)40)21-14-51-24-13-25(33(49-2)34(50-3)28(24)29(21)42)55-36-32(45)31(44)30(43)26(56-36)15-52-37-35(46)38(47,17-54-37)16-53-27(41)11-6-18-4-8-20(39)9-5-18/h4-14,26,30-32,35-37,39-40,43-47H,15-17H2,1-3H3/b11-6+/t26-,30-,31+,32-,35+,36-,37-,38-/m1/s1
InChIKey: InChIKey=QCJJODRTWWJORA-UARUKOOCSA-N
Formula: C38H40O18
Molecular Weight: 784.714883
Exact Mass: 784.221464
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, J., Yang, X., Di, Y., Wang, Y., Shen, Y., Hao, X. J Nat Prod (2006) 69, 778-82
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 155.7 |
| 3 (C) | 124.8 |
| 4 (C) | 182.5 |
| 5 (C) | 154.4 |
| 6 (C) | 134.1 |
| 7 (C) | 157.9 |
| 8 (CH) | 95.8 |
| 9 (C) | 154.6 |
| 10 (C) | 108.5 |
| 1' (C) | 124.1 |
| 2' (CH) | 114.2 |
| 3' (C) | 150.2 |
| 4' (C) | 150.7 |
| 5' (CH) | 112.8 |
| 6' (CH) | 122.7 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 69.5 |
| 1''' (CH) | 111.2 |
| 2''' (CH) | 78.7 |
| 3''' (C) | 78.8 |
| 4''' (CH2) | 75.1 |
| 5''' (CH2) | 67.2 |
| 1'''' (C) | 168.8 |
| 2'''' (CH) | 114.6 |
| 3'''' (CH) | 147.1 |
| 4'''' (C) | 126.9 |
| 5'''' (CH) | 131.2 |
| 6'''' (CH) | 116.8 |
| 7'''' (C) | 161.3 |
| 8'''' (CH) | 116.8 |
| 9'''' (CH) | 131.2 |
| 5a (CH3) | 56.6 |
| 6a (CH3) | 61.5 |
| 4'a (CH3) | 56.5 |
