Spektraris NMR
Scortechinone H
Common Name: Scortechinone H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O8/c1-17(2)10-11-20-25(36)23-26(37)21-14-32(39-9)15-22-31(7,8)42-33(29(32)38,13-12-18(3)16-35)34(21,22)41-28(23)24-27(20)40-19(4)30(24,5)6/h10,12,14,16,19,22,36H,11,13,15H2,1-9H3/b18-12+/t19-,22?,32-,33+,34-/m0/s1
InChIKey: InChIKey=LLUOWYAXWXVGKY-XUDAHUMDSA-N
Formula: C34H40O8
Molecular Weight: 576.67789
Exact Mass: 576.272318
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) | 163.6 |
| 2 (C) | 106.4 |
| 3 (C) | 167.3 |
| 4 (C) | 112.2 |
| 4a (C) | 154.1 |
| 5 (C) | 83.2 |
| 6 (C) | 202.1 |
| 7 (C) | 84.9 |
| 8 (CH) | 135.9 |
| 8a (C) | 132.4 |
| 9 (C) | 177.4 |
| 9a (C) | 101.3 |
| 10a (C) | 89.6 |
| 1' (C) | 43.7 |
| 2' (CH) | 91.4 |
| 3' (CH3) | 28.2 |
| 4' (CH3) | 20.5 |
| 5' (CH3) | 16.3 |
| 1'' (CH2) | 30.6 |
| 2'' (CH) | 49.8 |
| 3'' (C) | 84 |
| 4'' (CH3) | 31 |
| 5'' (CH3) | 28.9 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.4 |
| 2c (C) | 132.1 |
| 2d (CH3) | 25.8 |
| 2ca (CH3) | 17.8 |
| 5a (CH2) | 29.4 |
| 5b (CH) | 145.5 |
| 5c (C) | 140.9 |
| 5d (CH) | 194.5 |
| 5e (CH3) | 8.8 |
| 7a (CH3) | 54 |
