Spektraris NMR
3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
Common Name: 3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
Synonyms: 3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-10(17-2)6-11(15)12(8)18-13(9)16/h4-7,14-15H,3H2,1-2H3
InChIKey: InChIKey=YQILNNCHDIUIAD-UHFFFAOYSA-N
Formula: C13H14O5
Molecular Weight: 250.247762
Exact Mass: 250.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stierle, A.A., Stierle, D.B., Kemp, K. J Nat Prod (2004) 67, 1392-5
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) | 161.6 |
| 3 (C) | 119.5 |
| 4 (CH) | 141.6 |
| 5 (CH) | 104.9 |
| 6 (C) | 156.5 |
| 7 (CH) | 101.3 |
| 8 (C) | 143.8 |
| 9 (C) | 135.8 |
| 10 (C) | 126.6 |
| 3a (CH2) | 40.7 |
| 3b (CH) | 66.4 |
| 3c (CH3) | 23.5 |
| 6a (CH3) | 55.6 |
