Spektraris NMR
Artocommunol CB
Common Name: Artocommunol CB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H40O6/c1-20(2)9-8-10-22(5)12-15-25-30(38)29-31(39)26(14-11-21(3)4)33-27(17-18-35(6,7)41-33)34(29)40-32(25)24-16-13-23(36)19-28(24)37/h9,11-13,16-19,36-37,39H,8,10,14-15H2,1-7H3/b22-12+
InChIKey: InChIKey=MXUVULSNGAUYDB-WSDLNYQXSA-N
Formula: C35H40O6
Molecular Weight: 556.689816
Exact Mass: 556.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chan, S.C., Ko, H.H., Lin, C.N. J Nat Prod (2003) 66, 427-30
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 160.4 |
| 3 (C) | 120.8 |
| 4 (C) | 182.5 |
| 5 (C) | 158.2 |
| 6 (C) | 112.3 |
| 7 (C) | 157.5 |
| 8 (C) | 100.4 |
| 9 (C) | 150.5 |
| 10 (C) | 104.4 |
| 1' (C) | 112.1 |
| 2' (C) | 155.2 |
| 3' (CH) | 103.6 |
| 4' (C) | 159.4 |
| 5' (CH) | 108.2 |
| 6' (CH) | 131.5 |
| 2'' (C) | 80.4 |
| 3'' (CH) | 125.4 |
| 4'' (CH) | 115.6 |
| 5'' (CH3) | 25.7 |
| 6'' (CH3) | 25.6 |
| 3a (CH2) | 24.3 |
| 3b (CH) | 121 |
| 3c (C) | 132.9 |
| 3d (CH2) | 41.6 |
| 3e (CH2) | 22.7 |
| 3f (CH) | 123.7 |
| 3g (C) | 131.5 |
| 3h (CH3) | 25.6 |
| 3ca (CH3) | 17.5 |
| 3ga (CH3) | 17.5 |
| 6a (CH2) | 21.2 |
| 6b (CH) | 122 |
| 6c (C) | 131.8 |
| 6d (CH3) | 26.9 |
| 6ca (CH3) | 17.9 |
