Spektraris NMR
2-Ethyl-7-hydroxy-6-(2-methylbutanoyl)-8-(3-methyl-2-butenyl)furo[4,3,2-de]chromen-4(2H)-one
![2-Ethyl-7-hydroxy-6-(2-methylbutanoyl)-8-(3-methyl-2-butenyl)furo[4,3,2-de]chromen-4(2H)-one](/nmr/static/nmr/svg/8387.svg)
Common Name: 2-Ethyl-7-hydroxy-6-(2-methylbutanoyl)-8-(3-methyl-2-butenyl)furo[4,3,2-de]chromen-4(2H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-12(5)19(24)18-20(25)13(9-8-11(3)4)21-17-14(15(7-2)26-21)10-16(23)27-22(17)18/h8,10,12,15,25H,6-7,9H2,1-5H3
InChIKey: InChIKey=UIUQJKPWTIMLDM-UHFFFAOYSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Leewanich, P., Tuchinda, P., Pohmakotr, M., Jaipetch, T., Sophasan, S., Santisuk, T. Planta Med (2003) 69, 1048-51
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) | 161.73 |
| 3 (CH) | 98.92 |
| 4 (C) | 159.43 |
| 5 (C) | 162.98 |
| 6 (C) | 108.22 |
| 7 (C) | 172.05 |
| 8 (C) | 103.1 |
| 9 (C) | 151.66 |
| 10 (C) | 105.5 |
| 1' (CH) | 89.98 |
| 2' (CH2) | 27.22 |
| 3' (CH3) | 8.59 |
| 6a (CH2) | 21.84 |
| 6b (CH) | 120.72 |
| 6c (C) | 132.9 |
| 6d (CH3) | 17.73 |
| 6e (CH3) | 25.71 |
| 8a (C) | 208.6 |
| 8b (CH) | 45.96 |
| 8c (CH2) | 26.91 |
| 8d (CH3) | 11.78 |
| 8ba (CH3) | 16.36 |
