Spektraris NMR
Calopolyanolide C
Common Name: Calopolyanolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-13(2)10-11-17-23(28)21-22(27)14(3)15(4)29-25(21)20-18(12-19(26)30-24(17)20)16-8-6-5-7-9-16/h5-10,14-15,18,28H,11-12H2,1-4H3/t14-,15-,18-/m0/s1
InChIKey: InChIKey=GDBZTZISXRIMID-MPGHIAIKSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, C.H., Chen, B., Qi, H.Y., Li, B.G., Zhang, G.L. J Nat Prod (2004) 67, 1598-600
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 166.7 |
| 3 (CH2) | 36.7 |
| 4 (CH) | 34.6 |
| 5 (C) | 156.2 |
| 6 (C) | 104.4 |
| 7 (C) | 160.5 |
| 8 (C) | 110.6 |
| 9 (C) | 156.4 |
| 10 (C) | 104 |
| 1' (C) | 141.4 |
| 2' (CH) | 126.9 |
| 3' (CH) | 129.1 |
| 4' (CH) | 127.5 |
| 5' (CH) | 129.1 |
| 6' (CH) | 126.9 |
| 6a (C) | 199.9 |
| 6b (CH) | 46.1 |
| 6c (CH) | 79.7 |
| 6d (CH3) | 19.6 |
| 6e (CH3) | 10.6 |
| 8a (CH2) | 26 |
| 8b (CH) | 121.6 |
| 8c (C) | 132.7 |
| 8d (CH3) | 21.5 |
| 8ca (CH3) | 18.1 |
