Spektraris NMR
Gemixanthone A Acetate
Common Name: Gemixanthone A Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O14/c1-14(33)41-13-25-28(17-8-22(38-5)30(43-16(3)35)23(9-17)39-6)46-32-29-19(12-24(40-7)31(32)45-25)27(36)26-20(37-4)10-18(42-15(2)34)11-21(26)44-29/h8-12,25,28H,13H2,1-7H3/t25-,28-/m0/s1
InChIKey: InChIKey=PVVQYRHVKQAGOS-LSYYVWMOSA-N
Formula: C32H30O14
Molecular Weight: 638.57344
Exact Mass: 638.163556
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chung, M.I., Weng, J.R., Lai, M.H., Yen, M.H., Lin, C.N. J Nat Prod (1999) 62, 1033-5
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 (CH) | 97.6 |
| 2 (C) | 146 |
| 3 (C) | 138.5 |
| 4 (C) | 131.6 |
| 4a (C) | 140.7 |
| 5 (CH) | 103.4 |
| 6 (C) | 154.9 |
| 7 (CH) | 100.1 |
| 8 (C) | 161.7 |
| 8a (C) | 110.2 |
| 9 (C) | 174.7 |
| 9a (C) | 116.4 |
| 10a (C) | 158.4 |
| 1' (CH3) | 56.6 |
| 1'' (CH) | 77.3 |
| 2'' (CH) | 75.3 |
| 3'' (CH2) | 62.5 |
| 1''' (C) | 129.6 |
| 2''' (CH) | 104.1 |
| 3''' (C) | 152.8 |
| 4''' (C) | 133 |
| 5''' (C) | 152.8 |
| 6''' (CH) | 104.1 |
| 1'''' (C) | 168.4 |
| 2'''' (CH3) | 21.1 |
| 1''''' (CH3) | 56.6 |
| 3''a (C) | 170.3 |
| 3''b (CH3) | 20.7 |
| 3'''a (CH3) | 56.3 |
| 4'''a (C) | 168.4 |
| 4'''b (CH3) | 20.7 |
| 5'''a (CH3) | 56.3 |
