Spektraris NMR
Scortechinone E
Common Name: Scortechinone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O7/c1-14(2)9-10-28-24(32)27(33-8)12-16-22(31)20-17(30)11-18-21(25(4,5)15(3)34-18)23(20)35-29(16,28)19(13-27)26(6,7)36-28/h9,11-12,15,19,30H,10,13H2,1-8H3/t15-,19?,27-,28+,29-/m0/s1
InChIKey: InChIKey=SUWIPAHXRGKUCP-UYFNSANNSA-N
Formula: C29H34O7
Molecular Weight: 494.577161
Exact Mass: 494.230453
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) | 166.4 |
| 2 (CH) | 92.8 |
| 3 (C) | 168.5 |
| 4 (C) | 112.6 |
| 4a (C) | 156.3 |
| 5 (C) | 84.4 |
| 6 (C) | 202.1 |
| 7 (C) | 84.9 |
| 8 (CH) | 134.4 |
| 8a (C) | 132.1 |
| 9 (C) | 178.1 |
| 9a (C) | 101.4 |
| 10a (C) | 89.6 |
| 1' (C) | 43.4 |
| 2' (CH) | 91.7 |
| 3' (CH3) | 20 |
| 4' (CH3) | 28.2 |
| 5' (CH3) | 16.3 |
| 1'' (CH2) | 30.7 |
| 2'' (CH) | 50 |
| 3'' (C) | 83.2 |
| 4'' (CH3) | 31 |
| 5'' (CH3) | 29 |
| 5a (CH2) | 29 |
| 5b (CH) | 117.3 |
| 5c (C) | 135.6 |
| 5d (CH3) | 25.5 |
| 5e (CH3) | 16.8 |
| 7a (CH3) | 54 |
