Spektraris NMR
Patuletin 7-O-(6''-isobutyryl)glucoside
Common Name: Patuletin 7-O-(6''-isobutyryl)glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O14/c1-9(2)25(35)37-8-15-17(29)20(32)22(34)26(40-15)39-14-7-13-16(19(31)24(14)36-3)18(30)21(33)23(38-13)10-4-5-11(27)12(28)6-10/h4-7,9,15,17,20,22,26-29,31-34H,8H2,1-3H3/t15-,17-,20+,22-,26-/m1/s1
InChIKey: InChIKey=AIDVHFDSVRUDAJ-BUEDXGQVSA-N
Formula: C26H28O14
Molecular Weight: 564.493143
Exact Mass: 564.147906
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Park, E.J., Kim, Y., Kim, J. J Nat Prod (2000) 63, 34-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 149.8 |
| 3 (C) | 138.2 |
| 4 (C) | 178.3 |
| 5 (C) | 153.8 |
| 6 (C) | 134.2 |
| 7 (C) | 158.2 |
| 8 (CH) | 96 |
| 9 (C) | 153.8 |
| 10 (C) | 107.5 |
| 1' (C) | 124.7 |
| 2' (CH) | 117.1 |
| 3' (C) | 147.1 |
| 4' (C) | 149.8 |
| 5' (CH) | 117 |
| 6' (CH) | 122.6 |
| 1'' (CH) | 102.4 |
| 2'' (CH) | 75.5 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 65.8 |
| 6a (CH3) | 62.3 |
| 6''a (C) | 179.4 |
| 6''b (CH) | 35.9 |
| 6''c (CH3) | 20.1 |
| 6''d (CH3) | 20.1 |
