Spektraris NMR
(2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
![(2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one](/nmr/static/nmr/svg/10843.svg)
Common Name: (2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Synonyms: (2S)-5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-21(2)9-8-14-18(26-21)11-16(23)19-15(22)10-17(25-20(14)19)12-4-6-13(24-3)7-5-12/h4-9,11,17,23H,10H2,1-3H3/t17-/m0/s1
InChIKey: InChIKey=DYYGGFDQLZIZEE-KRWDZBQOSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jang D.S., Cuendet M., Hawthorne M.E., Kardono L.B., Kawanishi K., Fong H.H., Mehta R.G., Pezzuto J.M., Kinghorn A.D. Phytochemistry (2002) 61, 867-72
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 78.9 |
| 3 (CH2) | 43.2 |
| 4 (C) | 196 |
| 5 (C) | 163.8 |
| 6 (CH) | 97.6 |
| 7 (C) | 162.3 |
| 8 (C) | 102 |
| 9 (C) | 156.9 |
| 10 (C) | 102.9 |
| 1' (C) | 130.5 |
| 2' (CH) | 127.6 |
| 3' (CH) | 114.1 |
| 4' (C) | 160 |
| 5' (CH) | 114.1 |
| 6' (CH) | 127.6 |
| 8a (CH) | 115.6 |
| 8b (CH) | 126.4 |
| 8c (C) | 78.1 |
| 8d (CH3) | 28.3 |
| 8ca (CH3) | 28.5 |
| 4'a (CH3) | 55.4 |
