Spektraris NMR
7,7'-Dihydroxy-3,8'-biscoumain
Common Name: 7,7'-Dihydroxy-3,8'-biscoumain
Synonyms: 7,7'-Dihydroxy-3,8'-biscoumain
CAS Registry Number:
InChI: InChI=1S/C18H10O6/c19-11-4-1-10-7-12(18(22)23-14(10)8-11)16-13(20)5-2-9-3-6-15(21)24-17(9)16/h1-8,19-20H
InChIKey: InChIKey=BXHOOISUHNRJMT-UHFFFAOYSA-N
Formula: C18H10O6
Molecular Weight: 322.269083
Exact Mass: 322.047738
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Schmidt J. Phytochemistry (2002) 61, 873-78
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 160.4 |
| 3 (C) | 116.6 |
| 4 (CH) | 145.3 |
| 5 (CH) | 129.9 |
| 6 (CH) | 114 |
| 7 (C) | 162.9 |
| 8 (CH) | 103.1 |
| 9 (C) | 156.5 |
| 10 (C) | 112.3 |
| 2' (C) | 161 |
| 3' (CH) | 112.1 |
| 4' (CH) | 144.4 |
| 5' (CH) | 129.4 |
| 6' (CH) | 113.6 |
| 7' (C) | 161.1 |
| 8' (C) | 112 |
| 9' (C) | 154.7 |
| 10' (C) | 112.1 |
