Spektraris NMR
Scortechinone Q
Common Name: Scortechinone Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O8/c1-17(2)10-11-20-25(36)23-26(37)21-14-32(39-9)15-22-31(8,16-35)42-33(29(32)38,13-12-18(3)4)34(21,22)41-28(23)24-27(20)40-19(5)30(24,6)7/h10,12,14,19,22,35-36H,11,13,15-16H2,1-9H3/t19-,22?,31+,32+,33-,34+/m1/s1
InChIKey: InChIKey=YFQMAEOODPWKHX-LNJSFKQZSA-N
Formula: C34H42O8
Molecular Weight: 578.693772
Exact Mass: 578.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sukpondma, Y., Rukachaisirikul, V., Phongpaichit, S. J Nat Prod (2005) 68, 1010-7
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) | 163 |
| 2 (C) | 105.3 |
| 3 (C) | 166.9 |
| 4 (C) | 113.7 |
| 4a (C) | 154.3 |
| 5 (C) | 84.9 |
| 6 (C) | 198.9 |
| 7 (C) | 88 |
| 8 (CH) | 134.9 |
| 8a (C) | 131.5 |
| 9 (C) | 176.5 |
| 9a (C) | 101.9 |
| 10a (C) | 83.7 |
| 1' (CH2) | 33.8 |
| 2' (CH) | 41.4 |
| 3' (C) | 85.2 |
| 4' (CH3) | 25.1 |
| 5' (CH2) | 67.9 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.7 |
| 2c (C) | 132 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.7 |
| 3a (C) | 43.7 |
| 3b (CH) | 90.9 |
| 3c (CH3) | 14.5 |
| 3d (CH3) | 21.1 |
| 3e (CH3) | 25.2 |
| 5a (CH2) | 28.1 |
| 5b (CH) | 117.8 |
| 5c (C) | 136.4 |
| 5d (CH3) | 25.8 |
| 5e (CH3) | 17.9 |
| 7a (CH3) | 51.8 |
