Spektraris NMR
Cycloartelastoxanthendiol
Common Name: Cycloartelastoxanthendiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O9/c1-25(2,32)17(30)7-10-13(27)8-14(28)19-21(31)11-6-12-18-20(23(11)34-22(10)19)16(33-5)9-15(29)24(18)35-26(12,3)4/h8-9,12,17,27-30,32H,6-7H2,1-5H3/t12-,17-/m0/s1
InChIKey: InChIKey=DHHKSLYQLDDNAA-SJCJKPOMSA-N
Formula: C26H28O9
Molecular Weight: 484.496119
Exact Mass: 484.173332
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ko, H.H., Lu, Y.H., Yang, S.Z., Won, S.J., Lin, C.N. J Nat Prod (2005) 68, 1692-5
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) | 161.6 |
| 3 (C) | 103.6 |
| 4 (C) | 180.8 |
| 5 (C) | 160.2 |
| 6 (CH) | 103.6 |
| 7 (C) | 162.3 |
| 8 (C) | 104.1 |
| 9 (C) | 155.4 |
| 10 (C) | 104.7 |
| 1' (C) | 112.2 |
| 2' (C) | 151.9 |
| 3' (CH) | 105.6 |
| 4' (C) | 148.7 |
| 5' (C) | 138.1 |
| 6' (C) | 132.2 |
| 1'' (CH2) | 20.4 |
| 2'' (CH) | 47.9 |
| 3'' (C) | 93.1 |
| 4'' (CH3) | 22.7 |
| 5'' (CH3) | 26.4 |
| 1''' (CH2) | 34.8 |
| 2''' (CH) | 67.8 |
| 3''' (C) | 76.5 |
| 4''' (CH3) | 28.7 |
| 5''' (CH3) | 28.1 |
| 2'a (CH3) | 54.2 |
