Spektraris NMR
Calycinoxanthon D
Common Name: Calycinoxanthon D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-11(2)5-6-13(12(3)4)9-15-17(25)10-18(26)19-20(27)14-7-8-16(24)21(28)23(14)29-22(15)19/h5,7-8,10,13,24-26,28H,3,6,9H2,1-2,4H3
InChIKey: InChIKey=ZXCREOQQIQQVAR-UHFFFAOYSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rath, G., Potterat, O., Mavi, S., Hostettmann, K. Phytochemistry (1996) 43, 513-20
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 163.7 |
| 2 (CH) | 98.2 |
| 3 (C) | 162.4 |
| 4 (C) | 114.7 |
| 4a (C) | 156.3 |
| 5 (C) | 133.5 |
| 6 (C) | 152.2 |
| 7 (CH) | 113.3 |
| 8 (CH) | 117.4 |
| 8a (C) | 107.1 |
| 9 (C) | 181.5 |
| 9a (C) | 103 |
| 10a (C) | 147.3 |
| 1' (CH2) | 27.7 |
| 2' (CH) | 47.8 |
| 3' (CH2) | 32.2 |
| 4' (CH) | 124.4 |
| 5' (C) | 131.7 |
| 6' (CH3) | 17.9 |
| 7' (CH3) | 25.8 |
| 8' (C) | 148.9 |
| 9' (CH2) | 111.5 |
| 10' (CH3) | 19 |
