Spektraris NMR
5-Hydroxy-8,8-dimethyl-6-[(Z)-2-methylbut-2-enoyl]4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
![5-Hydroxy-8,8-dimethyl-6-[(Z)-2-methylbut-2-enoyl]4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one](/nmr/static/nmr/svg/11090.svg)
Common Name: 5-Hydroxy-8,8-dimethyl-6-[(Z)-2-methylbut-2-enoyl]4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-6-8-13-11-15(23)26-20-14-9-10-22(4,5)27-21(14)17(19(25)16(13)20)18(24)12(3)7-2/h7,9-11,25H,6,8H2,1-5H3/b12-7-
InChIKey: InChIKey=NMJOGWRZGFLRSM-GHXNOFRVSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Palmer, C.J., Josephs, J.L. J Chem Soc, Perkin Trans 1 (1995) 0, 3135-52
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) | 159.9 |
| 3 (CH) | 110.2 |
| 4 (C) | 159.3 |
| 5 (C) | 164.9 |
| 6 (C) | 106.8 |
| 7 (C) | 157.6 |
| 8 (C) | 101.4 |
| 9 (C) | 155.7 |
| 10 (C) | 103 |
| 1' (CH2) | 38.3 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 14 |
| 6a (C) | 205.1 |
| 6b (C) | 139.8 |
| 6c (CH) | 121 |
| 6d (CH3) | 14.6 |
| 6e (CH3) | 20.5 |
| 8a (CH) | 115.2 |
| 8b (CH) | 126.6 |
| 8c (C) | 79.5 |
| 8d (CH3) | 27.9 |
| 8e (CH3) | 27.9 |
