Spektraris NMR
7-Hydroxycoumarin glucuronide
Common Name: 7-Hydroxycoumarin glucuronide
Synonyms: 7-Hydroxycoumarin glucuronide
CAS Registry Number:
InChI: InChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
InChIKey: InChIKey=PRYLPCLGPXGILY-DKBOKBLXSA-N
Formula: C15H14O9
Molecular Weight: 338.266853
Exact Mass: 338.063782
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Scher, J.M., Speakman, J.B., Zapp, J., Becker, H. Phytochemistry (2004) 65, 2583-8
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) | 162.8 |
| 3 (CH) | 114.7 |
| 4 (CH) | 146 |
| 5 (CH) | 119.6 |
| 6 (CH) | 114.5 |
| 7 (C) | 149.3 |
| 8 (CH) | 136.1 |
| 9 (C) | 144.5 |
| 10 (C) | 116.7 |
| 1' (CH) | 103.5 |
| 2' (CH) | 74.5 |
| 3' (CH) | 76.9 |
| 4' (CH) | 72.9 |
| 5' (CH) | 76.7 |
| 5'a (C) | 172.2 |
