Spektraris NMR
Gambogoic acid A
Common Name: Gambogoic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H48O9/c1-20(2)11-10-16-37(8)17-15-23-29(40)27-30(41)28-33(45-9)25-19-26-36(6,7)48-38(34(25)42,18-14-22(5)35(43)44)39(26,28)47-32(27)24(31(23)46-37)13-12-21(3)4/h11-12,14-15,17,25-26,28,33,40H,10,13,16,18-19H2,1-9H3,(H,43,44)/b22-14-/t25-,26?,28+,33+,37?,38+,39+/m1/s1
InChIKey: InChIKey=WRIWCDIPAFGNEY-LAVLINDDSA-N
Formula: C39H48O9
Molecular Weight: 660.794501
Exact Mass: 660.329833
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Wang, Y.L., Yang, L., Tso, T.F., Qiao, C.F., Song, J.Z., Xu, L.J., Chen, S.L., Yang, D.J., Xu, H.X. Chem Pharm Bull (2006) 54, 265-7
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) | 156.3 |
| 2 (C) | 102.6 |
| 3 (C) | 161.2 |
| 4 (C) | 108.7 |
| 4a (C) | 155.7 |
| 5 (C) | 82.2 |
| 6 (C) | 208.6 |
| 7 (CH) | 43.9 |
| 8 (CH) | 74 |
| 8a (CH) | 47.9 |
| 9 (C) | 193.7 |
| 9a (C) | 101.7 |
| 10a (C) | 88.4 |
| 1' (CH) | 115.8 |
| 2' (CH) | 124.8 |
| 3' (C) | 81.1 |
| 4' (CH3) | 27.7 |
| 5' (CH2) | 42 |
| 6' (CH2) | 22.7 |
| 7' (CH) | 123.7 |
| 8' (C) | 131.9 |
| 9' (CH3) | 17.6 |
| 10' (CH3) | 25.6 |
| 1'' (CH2) | 21.5 |
| 2'' (CH) | 122.5 |
| 3'' (C) | 131.2 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.6 |
| 1''' (CH2) | 28 |
| 2''' (CH) | 139.8 |
| 3''' (C) | 127 |
| 4''' (C) | 172.4 |
| 5''' (CH3) | 20.5 |
| 1'''' (CH2) | 19.9 |
| 2'''' (CH) | 43.5 |
| 3'''' (C) | 86.3 |
| 4'''' (CH3) | 27.2 |
| 5'''' (CH3) | 29.7 |
| 1''''' (CH3) | 55.8 |
