Spektraris NMR
Kushenol U
Common Name: Kushenol U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O5/c1-15(2)6-7-18(16(3)4)12-20-21(28)13-24(30-5)25-22(29)14-23(31-26(20)25)17-8-10-19(27)11-9-17/h6,8-11,13,18,23,27-28H,3,7,12,14H2,1-2,4-5H3/t18?,23-/m0/s1
InChIKey: InChIKey=HWMUITXPRSEDHI-IMMUGOHXSA-N
Formula: C26H30O5
Molecular Weight: 422.514381
Exact Mass: 422.209324
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Kuroyanagi, M., Arakawa, T., Hirayama, Y., Hayashi, T. J Nat Prod (1999) 62, 1595-9
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) | 74 |
| 3 (CH2) | 42.4 |
| 4 (C) | 191.4 |
| 5 (C) | 160.3 |
| 6 (CH) | 93 |
| 7 (C) | 162.7 |
| 8 (C) | 108.5 |
| 9 (C) | 164.1 |
| 10 (C) | 104.5 |
| 1' (C) | 130.1 |
| 2' (CH) | 127.4 |
| 3' (CH) | 110.4 |
| 4' (C) | 156.8 |
| 5' (CH) | 110.4 |
| 6' (CH) | 127.4 |
| 1'' (CH2) | 27.2 |
| 2'' (CH) | 46.8 |
| 3'' (CH2) | 31 |
| 4'' (CH) | 123.4 |
| 5'' (C) | 131.3 |
| 6'' (CH3) | 17.6 |
| 7'' (CH3) | 25.5 |
| 8'' (C) | 148.6 |
| 9'' (CH2) | 110.4 |
| 10'' (CH3) | 18.8 |
| 5a (CH3) | 55.4 |
