Spektraris NMR
Isoscutellarein 4'-methyl ether 7-O-(6'''-O-acetyl)-b-allopyranosyl(1'''-->2'')-b-glucopyranoside
Common Name: Isoscutellarein 4'-methyl ether 7-O-(6'''-O-acetyl)-b-allopyranosyl(1'''-->2'')-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O18/c1-10(32)43-9-16-19(35)21(37)24(40)29(46-16)48-28-22(38)18(34)15(8-31)45-30(28)47-27-23(39)20(36)17-13(33)7-14(44-26(17)25(27)41)11-3-5-12(42-2)6-4-11/h3-7,15-16,18-19,21-22,24,28-31,34-41H,8-9H2,1-2H3/t15-,16-,18-,19-,21-,22+,24-,28-,29+,30+/m1/s1
InChIKey: InChIKey=GSCBJIWHEBFFRF-IGIOCAGNSA-N
Formula: C30H34O18
Molecular Weight: 682.581351
Exact Mass: 682.174514
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Albach, D.C., Grayer, R.J., Jensen, S.R., Ozgokce, F., Veitch, N.C. Phytochemistry (2003) 64, 1295-301
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) | 163.6 |
| 3 (CH) | 103.3 |
| 4 (C) | 182.3 |
| 5 (C) | 152.1 |
| 6 (C) | 99.5 |
| 7 (C) | 150.5 |
| 8 (C) | 127.5 |
| 9 (C) | 143.7 |
| 10 (C) | 105.6 |
| 1' (C) | 122.8 |
| 2' (CH) | 128.3 |
| 3' (CH) | 114.5 |
| 4' (C) | 162.4 |
| 5' (CH) | 114.5 |
| 6' (CH) | 128.3 |
| 1'' (CH) | 100.1 |
| 2'' (CH) | 82.4 |
| 3'' (CH) | 75.5 |
| 4'' (CH) | 69.2 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 60.5 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 71.4 |
| 3''' (CH) | 70.7 |
| 4''' (CH) | 66.8 |
| 5''' (CH) | 71.4 |
| 6''' (CH2) | 63.5 |
| 4'a (CH3) | 55.5 |
| 6'''a (C) | 170.1 |
| 6'''b (CH3) | 20.3 |
