Spektraris NMR
Orobol-7-0-glucoside
Common Name: Orobol-7-0-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=WJHSRFQBVYHKKL-CMWLGVBASA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Anhut, S., Zinsmeister, H.D., Mues, R., Barz, W., Mackenbrock, K. Phytochemistry (1984) 23, 1073-5
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) | 154.4 |
| 3 (C) | 122.7 |
| 4 (C) | 180 |
| 5 (C) | 162.9 |
| 6 (CH) | 99.5 |
| 7 (C) | 161.6 |
| 8 (CH) | 94.5 |
| 9 (C) | 157.1 |
| 10 (C) | 106 |
| 1' (C) | 121.4 |
| 2' (CH) | 116.5 |
| 3' (C) | 144.9 |
| 4' (C) | 145.6 |
| 5' (CH) | 115.4 |
| 6' (CH) | 119.9 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 73 |
| 3'' (CH) | 77.1 |
| 4'' (CH) | 69.6 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 60.6 |
