Spektraris NMR
Scortechinone P
Common Name: Scortechinone P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O10/c1-15(2)10-11-18-23(35)20-24(36)21-27(37)32(41-9)14-19-31(7,8)44-33(29(32)40,13-12-16(3)28(38)39)34(19,21)43-26(20)22-25(18)42-17(4)30(22,5)6/h10,12,17,19,21,27,35,37H,11,13-14H2,1-9H3,(H,38,39)/b16-12-/t17-,19?,21-,27-,32+,33+,34+/m0/s1
InChIKey: InChIKey=RBOHAEQJEXPWDA-RZIOILDNSA-N
Formula: C34H42O10
Molecular Weight: 610.692581
Exact Mass: 610.277798
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) | 161.7 |
| 2 (C) | 105.3 |
| 3 (C) | 166.9 |
| 4 (C) | 113.6 |
| 4a (C) | 152.1 |
| 5 (C) | 86.4 |
| 6 (C) | 206.4 |
| 7 (C) | 82 |
| 8 (CH) | 67.2 |
| 8a (CH) | 49.7 |
| 9 (C) | 191.7 |
| 9a (C) | 102.4 |
| 10a (C) | 87 |
| 1' (CH2) | 21.4 |
| 2' (CH) | 121.6 |
| 3' (C) | 132.2 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 17.7 |
| 1'' (C) | 43.9 |
| 2'' (CH) | 90.2 |
| 3'' (CH3) | 13.8 |
| 4'' (CH3) | 26.1 |
| 5'' (CH3) | 22.1 |
| 1''' (CH2) | 28.3 |
| 2''' (CH) | 138.7 |
| 3''' (C) | 127.7 |
| 4''' (C) | 171.8 |
| 5''' (CH3) | 20.8 |
| 1'''' (CH2) | 22.6 |
| 2'''' (CH) | 45.4 |
| 3'''' (C) | 82.5 |
| 4'''' (CH3) | 27.3 |
| 5'''' (CH3) | 30.5 |
| 7a (CH3) | 52.1 |
