Spektraris NMR
(2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
![(2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one](/nmr/static/nmr/svg/11733.svg)
Common Name: (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
Synonyms: (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C26H30O6/c1-14(2)6-8-17-16(10-11-22(31-5)25(17)30)23-13-21(29)24-20(28)12-19(27)18(26(24)32-23)9-7-15(3)4/h6-7,10-12,23,27-28,30H,8-9,13H2,1-5H3/t23-/m0/s1
InChIKey: InChIKey=LGSFAJAWSUQNON-QHCPKHFHSA-N
Formula: C26H30O6
Molecular Weight: 438.513786
Exact Mass: 438.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Nambuddee, K., Kongsaeree, P. J Nat Prod (2004) 67, 968-72
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) | 76.2 |
| 3 (CH2) | 42.8 |
| 4 (C) | 197 |
| 5 (C) | 162.3 |
| 6 (CH) | 96.8 |
| 7 (C) | 163.7 |
| 8 (C) | 106.2 |
| 9 (C) | 160.1 |
| 10 (C) | 103.1 |
| 1' (C) | 129.9 |
| 2' (C) | 125.8 |
| 3' (C) | 143.6 |
| 4' (C) | 146.6 |
| 5' (CH) | 117.6 |
| 6' (CH) | 108.4 |
| 1'' (CH2) | 21.8 |
| 2'' (CH) | 121.7 |
| 3'' (C) | 134.9 |
| 4'' (CH3) | 25.6 |
| 5'' (CH3) | 17.8 |
| 1''' (CH2) | 24.6 |
| 2''' (CH) | 122.3 |
| 3''' (C) | 132.4 |
| 4''' (CH3) | 25.8 |
| 5''' (CH3) | 17.9 |
| 4'a (CH3) | 56 |
