Spektraris NMR
Scortechinone M
Common Name: Scortechinone M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O10/c1-15(2)20(35)12-18-24(36)22-25(37)19-13-32(41-9)14-21-31(7,8)44-33(29(32)40,11-10-16(3)28(38)39)34(19,21)43-27(22)23-26(18)42-17(4)30(23,5)6/h10,13,17,20-21,35-36H,1,11-12,14H2,2-9H3,(H,38,39)/b16-10-/t17-,20?,21?,32-,33+,34-/m0/s1
InChIKey: InChIKey=HNSYUDVBSKCUEM-UQCCPXNYSA-N
Formula: C34H40O10
Molecular Weight: 608.6767
Exact Mass: 608.262148
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) | 164.1 |
| 2 (C) | 102.4 |
| 3 (C) | 167.7 |
| 4 (C) | 112.7 |
| 4a (C) | 155 |
| 5 (C) | 84.1 |
| 6 (C) | 203.1 |
| 7 (C) | 85.1 |
| 8 (CH) | 134.8 |
| 8a (C) | 132.5 |
| 9 (C) | 177.8 |
| 9a (C) | 101.3 |
| 10a (C) | 89.2 |
| 1' (CH2) | 28.5 |
| 2' (CH) | 74.9 |
| 3' (C) | 147.1 |
| 4' (CH2) | 110.6 |
| 5' (CH3) | 18.3 |
| 1'' (C) | 43.5 |
| 2'' (CH) | 92.1 |
| 3'' (CH3) | 16.2 |
| 4'' (CH3) | 28 |
| 5'' (CH3) | 19.7 |
| 1''' (CH2) | 29 |
| 2''' (CH) | 135.8 |
| 3''' (C) | 129.5 |
| 4''' (C) | 167.9 |
| 5''' (CH3) | 21.1 |
| 1'''' (CH2) | 30.4 |
| 2'''' (CH) | 49.7 |
| 3'''' (C) | 83.6 |
| 4'''' (CH3) | 28.7 |
| 5'''' (CH3) | 30.9 |
| 7a (CH3) | 53.8 |
