Spektraris NMR
Scortechinone U
Common Name: Scortechinone U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O6/c1-12(2)8-9-15-20(28)18-21(29)16-10-14(27)11-17(26(6,7)30)22(16)32-24(18)19-23(15)31-13(3)25(19,4)5/h8,10-11,13,27-28,30H,9H2,1-7H3/t13-/m1/s1
InChIKey: InChIKey=UZFQFSWIIKYKFR-CYBMUJFWSA-N
Formula: C26H30O6
Molecular Weight: 438.513786
Exact Mass: 438.204239
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) | 161.8 |
| 2 (C) | 107.2 |
| 3 (C) | 165.6 |
| 4 (C) | 112.8 |
| 4a (C) | 151.6 |
| 5 (C) | 140.6 |
| 6 (CH) | 122.3 |
| 7 (C) | 154.1 |
| 8 (CH) | 108 |
| 8a (C) | 122.5 |
| 9 (C) | 181.4 |
| 9a (C) | 103.7 |
| 10a (C) | 147.5 |
| 2a (CH2) | 22.2 |
| 2b (CH) | 122.6 |
| 2c (C) | 132 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.8 |
| 3a (C) | 44.7 |
| 3b (CH) | 90.9 |
| 3c (CH3) | 22 |
| 3d (CH3) | 26 |
| 3e (CH3) | 14.2 |
| 5a (C) | 71.5 |
| 5b (CH3) | 30.5 |
| 5c (CH3) | 30.2 |
