Spektraris NMR
Scortechinone F
Common Name: Scortechinone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O9/c1-16(2)10-11-19-24(35)22-25(36)20-14-32(40-9)15-21-31(7,8)43-33(29(32)39,13-12-17(3)28(37)38)34(20,21)42-27(22)23-26(19)41-18(4)30(23,5)6/h10,12,14,18,21,35H,11,13,15H2,1-9H3,(H,37,38)/b17-12+/t18-,21?,32-,33+,34-/m0/s1
InChIKey: InChIKey=POTOKMBTWJNFNG-FVAFVXFFSA-N
Formula: C34H40O9
Molecular Weight: 592.677295
Exact Mass: 592.267233
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) | 163.5 |
| 2 (C) | 106.2 |
| 3 (C) | 166.9 |
| 4 (C) | 112 |
| 4a (C) | 154 |
| 5 (C) | 83.3 |
| 6 (C) | 202 |
| 7 (C) | 85 |
| 8 (CH) | 135.4 |
| 8a (C) | 132.1 |
| 9 (C) | 177.5 |
| 9a (C) | 101.3 |
| 10a (C) | 89.4 |
| 1' (C) | 43.7 |
| 2' (CH) | 91.3 |
| 3' (CH3) | 28.2 |
| 4' (CH3) | 20.3 |
| 5' (CH3) | 16.3 |
| 1'' (CH2) | 30.9 |
| 2'' (CH) | 49.8 |
| 3'' (C) | 83.7 |
| 4'' (CH3) | 30.9 |
| 5'' (CH3) | 28.9 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.5 |
| 2c (C) | 132 |
| 2d (CH3) | 25.7 |
| 2ca (CH3) | 17.8 |
| 5a (CH2) | 29.3 |
| 5b (CH) | 135.9 |
| 5c (C) | 129.3 |
| 5d (C) | 171 |
| 5e (CH3) | 11.4 |
| 7a (CH3) | 54.1 |
