Spektraris NMR
Hanburinone
Common Name: Hanburinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O11/c1-15(29(39)40)9-12-33-28(38)18-13-19(32(6,7)45-33)34(33)22(27(18)42-8)24(37)21-23(36)16-10-11-30(2,3)43-25(16)17(26(21)44-34)14-20(35)31(4,5)41/h9-11,18-20,22,27,35-36,41H,12-14H2,1-8H3,(H,39,40)/b15-9-/t18-,19?,20?,22-,27+,33+,34+/m0/s1
InChIKey: InChIKey=YACUINUOCLLMGT-BRODTJHSSA-N
Formula: C34H42O11
Molecular Weight: 626.691986
Exact Mass: 626.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sukpondma, Y., Rukachaisirikul, V., Phongpaichit, S. Chem Pharm Bull (2005) 53, 850-2
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) | 157.2 |
| 2 (C) | 103 |
| 3 (C) | 160.5 |
| 4 (C) | 105.3 |
| 4a (C) | 157 |
| 5 (C) | 86.1 |
| 6 (C) | 208 |
| 7 (CH) | 44.5 |
| 8 (CH) | 74.8 |
| 8a (CH) | 47.6 |
| 9 (C) | 194.2 |
| 9a (C) | 102.1 |
| 10a (C) | 88.1 |
| 1' (CH) | 115.2 |
| 2' (CH) | 126 |
| 3' (C) | 79 |
| 4' (CH3) | 28.7 |
| 5' (CH3) | 28.5 |
| 1'' (CH2) | 25.6 |
| 2'' (CH) | 78.2 |
| 3'' (C) | 73.6 |
| 4'' (CH3) | 28.8 |
| 5'' (CH3) | 28.6 |
| 1''' (CH2) | 28.2 |
| 2''' (CH) | 132.5 |
| 3''' (C) | 131.4 |
| 4''' (C) | 170.7 |
| 5''' (CH3) | 20.5 |
| 1'''' (CH2) | 20.1 |
| 2'''' (CH) | 43.9 |
| 3'''' (C) | 81.5 |
| 4'''' (CH3) | 29.5 |
| 5'''' (CH3) | 27.5 |
| 1''''' (CH3) | 55.9 |
