Spektraris NMR
Kurzichalcolactone A
Common Name: Kurzichalcolactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H32O7/c33-27(17-16-23-9-3-1-4-10-23)31-28(34)21-26(22-29(31)35)38-30(36)15-7-13-25-14-8-19-32(37,39-25)20-18-24-11-5-2-6-12-24/h1-6,9-12,16-18,20-22,25,34-35,37H,7-8,13-15,19H2/b17-16+,20-18+/t25-,32+/m1/s1
InChIKey: InChIKey=KDRAAPCWSZMKEN-ORFVBQLBSA-N
Formula: C32H32O7
Molecular Weight: 528.593487
Exact Mass: 528.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dumontet, V., Van Hung, N., Adeline, M.T., Riche, C., Chiaroni, A., Sevenet, T., Gueritte, F. J Nat Prod (2004) 67, 858-62
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 136.7 |
| 2 (CH) | 130 |
| 3 (CH) | 130 |
| 4 (CH) | 130 |
| 5 (CH) | 130 |
| 6 (CH) | 130 |
| α (CH) | 128.9 |
| β (CH) | 143.3 |
| 1' (C) | 106.2 |
| 2' (C) | 162.6 |
| 3' (CH) | 97 |
| 4' (C) | 167.4 |
| 5' (CH) | 105.5 |
| 6' (C) | 159.6 |
| β' (C) | 193.4 |
| 1'' (C) | 175.1 |
| 2'' (CH2) | 34.6 |
| 3'' (CH2) | 22.1 |
| 4'' (CH2) | 36.1 |
| 5'' (CH) | 71.4 |
| 6'' (CH2) | 36.5 |
| 7'' (CH2) | 24.6 |
| 8'' (CH2) | 34.4 |
| 9'' (C) | 100 |
| 10'' (CH) | 132.4 |
| 11'' (CH) | 131 |
| 12'' (C) | 137.5 |
| 13'' (CH) | 128.3 |
| 14'' (CH) | 129.5 |
| 15'' (CH) | 129.5 |
| 16'' (CH) | 129.5 |
| 17'' (CH) | 128.3 |
