Spektraris NMR
Scortechinone K
Common Name: Scortechinone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1
InChIKey: InChIKey=NSXJYXNANXQGCY-JOXVHFRWSA-N
Formula: C34H40O10
Molecular Weight: 608.6767
Exact Mass: 608.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Painuphong, P., Sukpondma, Y., Koysomboon, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 933-8
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) | 162.9 |
| 2 (C) | 106.4 |
| 3 (C) | 167.9 |
| 4 (C) | 112.7 |
| 4a (C) | 152.9 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 38.3 |
| 7 (C) | 197 |
| 8 (CH) | 128.6 |
| 8a (C) | 145.9 |
| 9 (C) | 182.1 |
| 9a (C) | 102.8 |
| 10a (C) | 90.6 |
| 1' (C) | 43.5 |
| 2' (CH) | 90.6 |
| 3' (CH3) | 13.7 |
| 4' (CH3) | 24.4 |
| 5' (CH3) | 21.1 |
| 1'' (C) | 85.1 |
| 2'' (C) | 93.8 |
| 3'' (CH3) | 31.2 |
| 4'' (CH3) | 25.4 |
| 5'' (CH2) | 35.9 |
| 6'' (CH) | 137.1 |
| 7'' (C) | 130.3 |
| 8'' (C) | 170.6 |
| 9'' (CH3) | 12.5 |
| 10'' (C) | 171.3 |
| 11'' (CH3) | 52.3 |
| 2a (CH2) | 21.5 |
| 2b (CH) | 121.3 |
| 2c (C) | 132.4 |
| 2d (CH3) | 25.8 |
| 2ca (CH3) | 17.7 |
