Spektraris NMR
Gambogic acid
Common Name: Gambogic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27?,36+,37-,38+/m0/s1
InChIKey: InChIKey=GEZHEQNLKAOMCA-BLLARHGUSA-N
Formula: C38H44O8
Molecular Weight: 628.752597
Exact Mass: 628.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, Q., Yang, L., Liu, Y., Wang, Y., Qiao, C., Song, J., Xu, L., Yang, D., Chen, S., Xu, H. Planta Med (2006) 72, 281-4
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) | 157.55 |
| 2 (C) | 102.72 |
| 3 (C) | 161.48 |
| 4 (C) | 107.58 |
| 4a (C) | 157.35 |
| 5 (C) | 83.81 |
| 6 (C) | 203.34 |
| 7 (CH) | 46.81 |
| 8 (CH) | 135.3 |
| 8a (C) | 133.36 |
| 9 (C) | 178.86 |
| 9a (C) | 100.43 |
| 10a (C) | 90.93 |
| 1' (C) | 81.27 |
| 2' (CH) | 124.46 |
| 3' (CH) | 115.88 |
| 4' (CH3) | 27.69 |
| 5' (CH2) | 41.98 |
| 6' (CH2) | 22.74 |
| 7' (CH) | 123.85 |
| 8' (C) | 131.77 |
| 9' (CH3) | 17.62 |
| 10' (CH3) | 25.65 |
| 1'' (CH2) | 21.61 |
| 2'' (CH) | 122.26 |
| 3'' (C) | 131.48 |
| 4'' (CH3) | 18.07 |
| 5'' (CH3) | 25.66 |
| 1''' (CH2) | 29.27 |
| 2''' (CH) | 138.17 |
| 3''' (C) | 127.64 |
| 4''' (C) | 171.33 |
| 5''' (CH3) | 20.73 |
| 1'''' (CH2) | 25.18 |
| 2'''' (CH) | 49.01 |
| 3'''' (C) | 83.88 |
| 4'''' (CH3) | 28.86 |
| 5'''' (CH3) | 29.87 |
