Spektraris NMR
Isogarciniaxanthone E
Common Name: Isogarciniaxanthone E
Synonyms: Isogarciniaxanthone E
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-14(2)7-10-17-18(11-8-15(3)4)24(31)26(33)28-22(17)25(32)23-21(30)13-20(29)19(27(23)34-28)12-9-16(5)6/h7-9,13,29-31,33H,10-12H2,1-6H3
InChIKey: InChIKey=HAHRYXGQWSJKPI-UHFFFAOYSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chanmahasathien, W., Li, Y., Satake, M., Oshima, Y., Ishibashi, M., Ruangrungsi, N., Ohizumi, Y. Chem Pharm Bull (2003) 51, 1332-4
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) | 163.3 |
| 2 (CH) | 99 |
| 3 (C) | 164.3 |
| 4 (C) | 108.1 |
| 4a (C) | 155.8 |
| 5 (C) | 131.9 |
| 6 (C) | 153 |
| 7 (C) | 127.3 |
| 8 (C) | 136.8 |
| 8a (C) | 112.9 |
| 9 (C) | 184.9 |
| 9a (C) | 104.8 |
| 10a (C) | 149.5 |
| 1' (CH2) | 23 |
| 2' (CH) | 125 |
| 3' (C) | 132.7 |
| 4' (CH3) | 19.2 |
| 5' (CH3) | 26.8 |
| 1'' (CH2) | 26.4 |
| 2'' (CH) | 125.1 |
| 3'' (C) | 133 |
| 4'' (CH3) | 18.9 |
| 5'' (CH3) | 26.7 |
| 1''' (CH2) | 30.2 |
| 2''' (CH) | 126.6 |
| 3''' (C) | 131.6 |
| 4''' (CH3) | 19 |
| 5''' (CH3) | 26.7 |
