Spektraris NMR
5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside
Common Name: 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside
Synonyms: 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside
CAS Registry Number:
InChI: InChI=1S/C26H28O15/c27-8-26(36)9-38-25(23(26)35)37-7-17-20(32)21(33)22(34)24(41-17)40-16-5-11(28)4-15-19(16)12(6-18(31)39-15)10-1-2-13(29)14(30)3-10/h1-6,17,20-25,27-30,32-36H,7-9H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1
InChIKey: InChIKey=URQNORFSMLKGLE-JEQMPJCPSA-N
Formula: C26H28O15
Molecular Weight: 580.492548
Exact Mass: 580.14282
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aquino R., D'Agostino M., DeSimone F., Pizza C. Phytochemistry (1988) 27, 1827
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 163.5 |
| 3 (CH) | 112.3 |
| 4 (C) | 158.3 |
| 5 (C) | 158.1 |
| 6 (CH) | 98.7 |
| 7 (C) | 163.3 |
| 8 (CH) | 101.1 |
| 9 (C) | 157.3 |
| 10 (C) | 105.1 |
| 1' (C) | 133.2 |
| 2' (CH) | 116.9 |
| 3' (C) | 145.5 |
| 4' (C) | 146.9 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.7 |
| 5a (CH) | 101.6 |
| 5b (CH) | 74.6 |
| 5c (CH) | 78.1 |
| 5d (CH) | 71.4 |
| 5e (CH) | 77.7 |
| 5f (CH2) | 68.6 |
| 5g (CH) | 111 |
| 5h (CH) | 77.2 |
| 5i (C) | 80.5 |
| 5j (CH2) | 75.1 |
| 5ia (CH2) | 66 |
