30-Hydroxygambogic acid

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-BGXGRJSJSA-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) 157.4
2 (C) 102.8
3 (C) 161.6
4 (C) 107.7
4a (C) 157.3
5 (C) 83.7
6 (C) 203.2
7 (CH) 46.8
8 (CH) 135.8
8a (C) 133.2
9 (C) 179
9a (C) 100.5
10a (C) 90.9
1' (CH) 115.7
2' (CH) 124.7
3' (C) 81.4
4' (CH3) 27.7
5' (CH2) 41.9
6' (CH2) 22.7
7' (CH) 123.7
8' (C) 131.8
9' (CH3) 17.6
10' (CH3) 25.6
1'' (CH2) 21.6
2'' (CH) 122
3'' (C) 131.8
4'' (CH3) 18.1
5'' (CH3) 25.6
1''' (CH2) 29.1
2''' (CH) 140.5
3''' (C) 131
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