Spektraris NMR
Kushenol W
Common Name: Kushenol W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-10(2)4-5-11-13(22)8-16(25)20-17(26)9-18(28-21(11)20)12-6-19(27-3)15(24)7-14(12)23/h4,6-8,18,22-25H,5,9H2,1-3H3/t18-/m0/s1
InChIKey: InChIKey=IPQQRODECSTJDH-SFHVURJKSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
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) | 74.7 |
| 3 (CH2) | 42.4 |
| 4 (C) | 197.2 |
| 5 (C) | 161.4 |
| 6 (CH) | 95.7 |
| 7 (C) | 164.5 |
| 8 (C) | 108 |
| 9 (C) | 160.4 |
| 10 (C) | 102.5 |
| 1' (C) | 116.5 |
| 2' (C) | 148.1 |
| 3' (CH) | 103.1 |
| 4' (C) | 146.3 |
| 5' (C) | 140.6 |
| 6' (CH) | 110 |
| 1'' (CH2) | 21.6 |
| 2'' (CH) | 122.6 |
| 3'' (C) | 131.5 |
| 4'' (CH3) | 17.6 |
| 5'' (CH3) | 25.6 |
| 5'a (CH3) | 56.7 |
