Spektraris NMR
Gambogoic acid B
Common Name: Gambogoic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H50O9/c1-10-46-34-26-20-27-37(7,8)49-39(35(26)43,19-15-23(6)36(44)45)40(27)29(34)31(42)28-30(41)24-16-18-38(9,17-11-12-21(2)3)47-32(24)25(33(28)48-40)14-13-22(4)5/h12-13,15-16,18,26-27,29,34,41H,10-11,14,17,19-20H2,1-9H3,(H,44,45)/b23-15-/t26-,27?,29+,34+,38?,39+,40+/m1/s1
InChIKey: InChIKey=WMAGOAMNTBBBCL-JDERBJQESA-N
Formula: C40H50O9
Molecular Weight: 674.821118
Exact Mass: 674.345483
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) | 108.6 |
| 4a (C) | 155.6 |
| 5 (C) | 82.4 |
| 6 (C) | 208.6 |
| 7 (CH) | 44.2 |
| 8 (CH) | 72 |
| 8a (CH) | 48.5 |
| 9 (C) | 193.8 |
| 9a (C) | 101.7 |
| 10a (C) | 88.3 |
| 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) | 131.3 |
| 4'' (CH3) | 18.1 |
| 5'' (CH3) | 25.6 |
| 1''' (CH2) | 28 |
| 2''' (CH) | 139.8 |
| 3''' (C) | 127.6 |
| 4''' (C) | 172.3 |
| 5''' (CH3) | 20.6 |
| 1'''' (CH2) | 20 |
| 2'''' (CH) | 43.5 |
| 3'''' (C) | 86.4 |
| 4'''' (CH3) | 27.2 |
| 5'''' (CH3) | 29.7 |
| 1''''' (CH2) | 63.7 |
| 2''''' (CH3) | 15 |
