Spektraris NMR
Aquiledine
Common Name: Aquiledine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20N2O5/c23-13-10-16-18(14(24)9-15(27-16)11-5-2-1-3-6-11)19(25)17(13)12-7-4-8-21-20(26)22-12/h1-3,5-6,10,12,15,23,25H,4,7-9H2,(H2,21,22,26)/t12?,15-/m0/s1
InChIKey: InChIKey=NBILMSHCIXKQRW-CVRLYYSRSA-N
Formula: C20H20N2O5
Molecular Weight: 368.384044
Exact Mass: 368.137222
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Chen, S.B., Gao, G.Y., Leung, H.W., Yeung, H.W., Yang, J.S., Xiao, P.G. J Nat Prod (2001) 64, 85-7
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) | 78.2 |
| 3 (CH2) | 42.1 |
| 4 (C) | 196.3 |
| 5 (C) | 160.9 |
| 6 (C) | 109.3 |
| 7 (C) | 164.4 |
| 8 (CH) | 94.9 |
| 9 (C) | 160.8 |
| 10 (C) | 101.6 |
| 1' (C) | 138.6 |
| 2' (CH) | 126.5 |
| 3' (CH) | 128.5 |
| 4' (CH) | 128.5 |
| 5' (CH) | 128.5 |
| 6' (CH) | 126.5 |
| 1'' (CH) | 50.6 |
| 2'' (CH2) | 31.6 |
| 3'' (CH2) | 24.6 |
| 4'' (CH2) | 46.5 |
| 5'' (C) | 156.8 |
