Spektraris NMR
Scortechinone W
Common Name: Scortechinone W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H38O10/c1-15(2)10-11-18-27-21(26(36)24-28(18)42-17(4)32(24,5)6)25(35)19-14-20(41-9)22-23(29(19)43-27)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,14,17,36H,11,13H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17?,34-/m0/s1
InChIKey: InChIKey=FZCGEJLHEWDOTR-SJDNDDLKSA-N
Formula: C34H38O10
Molecular Weight: 606.660818
Exact Mass: 606.246497
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) | 157 |
| 2 (C) | 117.4 |
| 3 (C) | 165.3 |
| 4 (C) | 103.5 |
| 4a (C) | 147.5 |
| 5 (C) | 145.1 |
| 6 (C) | 128 |
| 7 (C) | 150.8 |
| 8 (CH) | 109.3 |
| 8a (C) | 116.8 |
| 9 (C) | 182 |
| 9a (C) | 105.1 |
| 10a (C) | 155 |
| 1' (CH2) | 22.5 |
| 2' (CH) | 122.4 |
| 3' (C) | 132.5 |
| 4' (CH3) | 17.7 |
| 5' (CH3) | 25.9 |
| 2a (C) | 44.4 |
| 2b (CH) | 91.6 |
| 2c (CH3) | 25.4 |
| 2d (CH3) | 20.8 |
| 2e (CH3) | 14.6 |
| 5a (C) | 87.2 |
| 5b (C) | 91.7 |
| 5c (CH3) | 28.8 |
| 5d (CH3) | 30.2 |
| 5e (CH2) | 36 |
| 5f (CH) | 139.3 |
| 5g (C) | 129.9 |
| 5h (CH3) | 12.8 |
| 5i (C) | 168.9 |
| 5j (C) | 172 |
| 7a (CH3) | 57 |
