Spektraris NMR
Scortechinone L
Common Name: Scortechinone L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O7/c1-17(2)11-12-20-25(35)23-26(36)21-15-32(38-10)16-22-31(8,9)41-33(29(32)37,14-13-18(3)4)34(21,22)40-28(23)24-27(20)39-19(5)30(24,6)7/h11,13,15,19,22,35H,12,14,16H2,1-10H3/t19-,22?,32-,33+,34-/m0/s1
InChIKey: InChIKey=JXVGZQWFGMBBFV-VWGJIDPKSA-N
Formula: C34H42O7
Molecular Weight: 562.694367
Exact Mass: 562.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Phainuphong, P., Sukpondma, Y., Phongpaichit, S., Taylor, W.C. Planta Med (2005) 71, 165-70
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) | 163.3 |
| 2 (C) | 105.8 |
| 3 (C) | 166.5 |
| 4 (C) | 111.9 |
| 4a (C) | 154.3 |
| 5 (C) | 84.4 |
| 6 (C) | 202.3 |
| 7 (C) | 84.9 |
| 8 (CH) | 133.9 |
| 8a (C) | 132.4 |
| 9 (C) | 178.1 |
| 9a (C) | 101.4 |
| 10a (C) | 89.3 |
| 1' (CH2) | 21.3 |
| 2' (CH) | 121.6 |
| 3' (C) | 132 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 25.7 |
| 1'' (C) | 43.7 |
| 2'' (CH) | 91.2 |
| 3'' (CH3) | 16.4 |
| 4'' (CH3) | 28.2 |
| 5'' (CH3) | 20.1 |
| 1''' (CH2) | 28.9 |
| 2''' (CH) | 117.1 |
| 3''' (C) | 135.5 |
| 4''' (CH3) | 16.7 |
| 5''' (CH3) | 25.4 |
| 1'''' (CH2) | 30.7 |
| 2'''' (CH) | 50 |
| 3'''' (C) | 83.2 |
| 4'''' (CH3) | 29 |
| 5'''' (CH3) | 30.9 |
| 7a (CH3) | 53.9 |
