Spektraris NMR
Pyranocoumarin analog
Common Name: Pyranocoumarin analog
Synonyms: Pyranocoumarin analog
CAS Registry Number:
InChI: InChI=1S/C19H22O5/c1-6-8-12-9-15(20)24-19-16(12)13(22-4)10-14(23-5)17(19)18(21)11(3)7-2/h7,9-10H,6,8H2,1-5H3/b11-7+
InChIKey: InChIKey=HJTTYQGWKFPWJE-YRNVUSSQSA-N
Formula: C19H22O5
Molecular Weight: 330.375703
Exact Mass: 330.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McKee, T.C., Fuller, R.W., Covington, C.D., Cardellina, J.H., Gulakowski, R.J., Krepps, B.L., McMahon, J.B., Boyd, M.R. J Nat Prod (1996) 59, 754-8
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) | 160.2 |
| 3 (CH) | 111.1 |
| 4 (C) | 157.5 |
| 5 (C) | 159.2 |
| 6 (CH) | 91 |
| 7 (C) | 159 |
| 8 (C) | 111.3 |
| 9 (C) | 153.2 |
| 10 (C) | 103.9 |
| 1' (CH2) | 38.6 |
| 2' (CH2) | 22.8 |
| 3' (CH3) | 14.1 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 56 |
| 8a (C) | 194.3 |
| 8b (C) | 139.3 |
| 8c (CH) | 143.1 |
| 8d (CH3) | 15.1 |
| 8e (CH3) | 10.7 |
