Spektraris NMR
GarciniaxanthoneD
Common Name: GarciniaxanthoneD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O7/c1-6-22(2,3)12-9-13(24)20-14(17(12)27)15(25)10-7-8-11-16(26)21(23(4,5)28)30-19(11)18(10)29-20/h6-9,16,21,24,26-28H,1H2,2-5H3/t16-,21-/m1/s1
InChIKey: InChIKey=BBXNMKXZYZWCTA-IIBYNOLFSA-N
Formula: C23H24O7
Molecular Weight: 412.433338
Exact Mass: 412.152203
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Minami, H., Takahashi, E., Fukuyama, Y., Kodama, M., Yoshizawa, T., Nakagawa, K. Chem Pharm Bull (1995) 43, 347-9
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) | 151.2 |
| 2 (C) | 127.4 |
| 3 (CH) | 122.6 |
| 4 (C) | 136.3 |
| 4a (C) | 141.8 |
| 5 (C) | 147.4 |
| 6 (C) | 137.8 |
| 7 (CH) | 120.7 |
| 8 (CH) | 116.9 |
| 8a (C) | 120.5 |
| 9 (C) | 182.5 |
| 9a (C) | 108.6 |
| 10a (C) | 141.1 |
| 1' (C) | 40 |
| 2' (CH3) | 26.3 |
| 3' (CH3) | 26.3 |
| 4' (CH) | 146.6 |
| 5' (CH2) | 110.8 |
| 1'' (CH) | 71.8 |
| 2'' (CH) | 98.2 |
| 3'' (C) | 69.7 |
| 4'' (CH3) | 25.5 |
| 5'' (CH3) | 25.8 |
