Spektraris NMR
30-Hydroxygambogic acid
Common Name: 30-Hydroxygambogic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O9/c1-20(2)9-8-14-36(7)15-13-24-29(40)28-30(41)26-17-23-18-27-35(5,6)47-37(33(23)42,16-12-22(19-39)34(43)44)38(26,27)46-32(28)25(31(24)45-36)11-10-21(3)4/h9-10,12-13,15,17,23,27,39-40H,8,11,14,16,18-19H2,1-7H3,(H,43,44)/b22-12-/t23-,27?,36-,37-,38+/m0/s1
InChIKey: InChIKey=MNNVIONVHRRQPF-XOIGCLHYSA-N
Formula: C38H44O9
Molecular Weight: 644.752002
Exact Mass: 644.298533
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Yang, L., Wang, Y.L., Qiao, C.F., Song, J.Z., Sun, H.D., Xu, H.X. Chem Biodivers (2006) 3, 101-5
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 (C) | 157.5 |
| 2 (C) | 103 |
| 3 (C) | 161.5 |
| 4 (C) | 108 |
| 4a (C) | 157.4 |
| 5 (C) | 83.6 |
| 6 (C) | 203.1 |
| 7 (CH) | 46.9 |
| 8 (CH) | 135.8 |
| 8a (C) | 133.1 |
| 9 (C) | 179.1 |
| 9a (C) | 100.5 |
| 10a (C) | 90.9 |
| 1' (CH) | 115.8 |
| 2' (CH) | 125 |
| 3' (C) | 81.3 |
| 4' (CH3) | 27.6 |
| 5' (CH2) | 41.7 |
| 6' (CH2) | 22.5 |
| 7' (CH) | 123.7 |
| 8' (C) | 132.3 |
| 9' (CH3) | 17.6 |
| 10' (CH3) | 25.7 |
| 1'' (CH2) | 21.6 |
| 2'' (CH) | 122 |
| 3'' (C) | 131.7 |
| 4'' (CH3) | 18.2 |
| 5'' (CH3) | 25.7 |
| 1''' (CH2) | 29.1 |
| 2''' (CH) | 140.5 |
| 3''' (C) | 131.2 |
| 4''' (C) | 169.9 |
| 5''' (CH2) | 64.7 |
| 1'''' (CH2) | 25.1 |
| 2'''' (CH) | 48.9 |
| 3'''' (C) | 84.1 |
| 4'''' (CH3) | 28.8 |
| 5'''' (CH3) | 29.9 |
