Spektraris NMR
Saclenone
Common Name: Saclenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O7/c1-23(2)7-6-12-16(30-23)10-19-20(21(12)24)22(25)14(11-29-19)13-8-17(27-4)18(28-5)9-15(13)26-3/h6-10,14,24H,11H2,1-5H3/t14-/m0/s1
InChIKey: InChIKey=IFQCOXCDQXGBFK-AWEZNQCLSA-N
Formula: C23H24O7
Molecular Weight: 412.433338
Exact Mass: 412.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Midiwo, J.O., Heydenreich, M., Schanzenbach, D., Peter, M.G. Phytochemistry (2000) 55, 457-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 70.3 |
| 3 (CH) | 47.2 |
| 4 (C) | 197.2 |
| 5 (C) | 158.8 |
| 6 (C) | 103.1 |
| 7 (C) | 161.7 |
| 8 (CH) | 95.9 |
| 9 (C) | 162.7 |
| 10 (C) | 103 |
| 1' (C) | 113.9 |
| 2' (C) | 151.9 |
| 3' (CH) | 98.1 |
| 4' (C) | 149.6 |
| 5' (C) | 143.3 |
| 6' (CH) | 114.3 |
| 2'' (C) | 78.2 |
| 3'' (CH) | 126.1 |
| 4'' (CH) | 115.4 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.4 |
| 2'a (CH3) | 56.7 |
| 4'a (CH3) | 56.4 |
| 5'a (CH3) | 56.1 |
