Spektraris NMR
Cucumerin B
Common Name: Cucumerin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H28O11/c1-12(13-2-6-15(31)7-3-13)20-24(35)22(29-27(38)26(37)23(34)19(11-30)40-29)25(36)21-17(33)10-18(39-28(20)21)14-4-8-16(32)9-5-14/h2-10,12,19,23,26-27,29-32,34-38H,11H2,1H3/t12?,19-,23-,26+,27-,29-/m1/s1
InChIKey: InChIKey=AEQPLRPDNSGKQU-OAKRFNPRSA-N
Formula: C29H28O11
Molecular Weight: 552.527136
Exact Mass: 552.163162
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - McNally, D.J., Wurms, K.V., Labbe, C., Quideau, S., Belanger, R.R. J Nat Prod (2003) 66, 1280-3
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) | 166.8 |
| 3 (CH) | 103.6 |
| 4 (C) | 183.1 |
| 5 (C) | 158.4 |
| 6 (C) | 108.7 |
| 7 (C) | 164.7 |
| 8 (C) | 112.4 |
| 9 (C) | 156.2 |
| 10 (C) | 104.3 |
| 1' (C) | 122.1 |
| 2' (CH) | 129.3 |
| 3' (CH) | 116.7 |
| 4' (C) | 162 |
| 5' (CH) | 116.7 |
| 6' (CH) | 129.3 |
| 1'' (CH) | 75.3 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 82 |
| 6'' (CH2) | 60.7 |
| 1''' (C) | 136.7 |
| 2''' (CH) | 128.4 |
| 3''' (CH) | 115.7 |
| 4''' (C) | 154.9 |
| 5''' (CH) | 115.7 |
| 6''' (CH) | 128.4 |
| 7''' (CH) | 32.3 |
| 8''' (CH3) | 19.3 |
