Spektraris NMR
Isogambogenic acid
Common Name: Isogambogenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16+/t24-,28?,37-,38+/m0/s1
InChIKey: InChIKey=RCWNBHCZYXWDOV-RGNSDFBBSA-N
Formula: C38H46O8
Molecular Weight: 630.768478
Exact Mass: 630.319268
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) | 107.6 |
| 3 (C) | 163.6 |
| 4 (C) | 106.7 |
| 4a (C) | 156 |
| 5 (C) | 83.6 |
| 6 (C) | 203.2 |
| 7 (CH) | 46.9 |
| 8 (CH) | 135.6 |
| 8a (C) | 133.4 |
| 9 (C) | 179.1 |
| 9a (C) | 100.7 |
| 10a (C) | 90.5 |
| 1' (CH2) | 21.2 |
| 2' (CH) | 121.3 |
| 3' (C) | 139 |
| 4' (CH3) | 16.2 |
| 5' (CH2) | 39.7 |
| 6' (CH2) | 26.4 |
| 7' (CH) | 123.9 |
| 8' (C) | 131.8 |
| 9' (CH3) | 17.7 |
| 10' (CH3) | 25.7 |
| 1'' (CH2) | 22.1 |
| 2'' (CH) | 122 |
| 3'' (C) | 133.8 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.7 |
| 1''' (CH2) | 28.9 |
| 2''' (CH) | 136.9 |
| 3''' (C) | 128.8 |
| 4''' (CH3) | 11.4 |
| 5''' (C) | 172.4 |
| 1'''' (CH2) | 25.3 |
| 2'''' (CH) | 49 |
| 3'''' (C) | 83.7 |
| 4'''' (CH3) | 28.9 |
| 5'''' (CH3) | 29.9 |
