Spektraris NMR
Gaudichaudic Acid
Common Name: Gaudichaudic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O8/c1-16(2)8-10-20-25(34)21(11-9-17(3)4)28-24(26(20)35)27(36)22-14-19-15-23-31(6,7)41-32(29(19)37,33(22,23)40-28)13-12-18(5)30(38)39/h8-9,12,14,19,23,34-35H,10-11,13,15H2,1-7H3,(H,38,39)/b18-12-/t19-,23?,32-,33+/m0/s1
InChIKey: InChIKey=AGLFUQQNMWKHEY-CSZNNKBQSA-N
Formula: C33H38O8
Molecular Weight: 562.651273
Exact Mass: 562.256668
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) | 160.4 |
| 2 (C) | 107.8 |
| 3 (C) | 163.5 |
| 4 (C) | 106.2 |
| 4a (C) | 155.9 |
| 5 (C) | 84 |
| 6 (C) | 203.3 |
| 7 (CH) | 46.9 |
| 8 (CH) | 135.2 |
| 8a (C) | 135.1 |
| 9 (C) | 179.2 |
| 9a (C) | 100.7 |
| 10a (C) | 90.5 |
| 1' (CH2) | 21.2 |
| 2' (CH) | 121.5 |
| 3' (C) | 134.4 |
| 4' (CH3) | 18 |
| 5' (CH3) | 25.7 |
| 1'' (CH2) | 22.1 |
| 2'' (CH) | 121.8 |
| 3'' (C) | 135.1 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.8 |
| 1''' (CH2) | 29.5 |
| 2''' (CH) | 137.7 |
| 3''' (C) | 128.6 |
| 4''' (C) | 170.1 |
| 5''' (CH3) | 20.8 |
| 1'''' (CH2) | 25.3 |
| 2'''' (CH) | 48.9 |
| 3'''' (C) | 83.9 |
| 4'''' (CH3) | 29 |
| 5'''' (CH3) | 29.7 |
