Spektraris NMR
Scortechinone N
Common Name: Scortechinone N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O10/c1-16(27(37)38)10-13-33-28(39)32(41-9)14-19-24(36)21-23(35)18(11-12-29(3,4)40)25-22(30(5,6)17(2)42-25)26(21)43-34(19,33)20(15-32)31(7,8)44-33/h10,14,17,20,35,40H,11-13,15H2,1-9H3,(H,37,38)/b16-10-/t17-,20?,32-,33+,34-/m0/s1
InChIKey: InChIKey=HXPLMXJAEAMJEM-CJESRSSVSA-N
Formula: C34H42O10
Molecular Weight: 610.692581
Exact Mass: 610.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Phainuphong, P., Sukpondma, Y., Phongpaichit, S., Taylor, W.C. Planta Med (2005) 71, 165-70
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) | 163.7 |
| 2 (C) | 106 |
| 3 (C) | 165.9 |
| 4 (C) | 112.2 |
| 4a (C) | 154.3 |
| 5 (C) | 84.3 |
| 6 (C) | 202.9 |
| 7 (C) | 85.1 |
| 8 (CH) | 134.7 |
| 8a (C) | 132.5 |
| 9 (C) | 178.1 |
| 9a (C) | 101.5 |
| 10a (C) | 89.1 |
| 1' (CH2) | 17.3 |
| 2' (CH2) | 39.4 |
| 3' (C) | 73.2 |
| 4' (CH3) | 27.6 |
| 5' (CH3) | 30 |
| 1'' (C) | 43.7 |
| 2'' (CH) | 92.2 |
| 3'' (CH3) | 16.8 |
| 4'' (CH3) | 28.8 |
| 5'' (CH3) | 19.4 |
| 1''' (CH2) | 29.1 |
| 2''' (CH) | 135.4 |
| 3''' (C) | 129.9 |
| 4''' (C) | 167.7 |
| 5''' (CH3) | 21 |
| 1'''' (CH2) | 30.4 |
| 2'''' (CH) | 49.8 |
| 3'''' (C) | 83.4 |
| 4'''' (CH3) | 28.9 |
| 5'''' (CH3) | 30.8 |
| 7a (CH3) | 53.8 |
