Spektraris NMR
Scortechinone I
Common Name: Scortechinone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O10/c1-16(2)11-12-19-24(36)21-25(37)22-28(41-9)33(42-10)15-20-32(7,8)45-34(30(33)40,14-13-17(3)29(38)39)35(20,22)44-27(21)23-26(19)43-18(4)31(23,5)6/h11,13,18,20,22,28,36H,12,14-15H2,1-10H3,(H,38,39)/b17-13-/t18-,20?,22-,28-,33+,34+,35+/m0/s1
InChIKey: InChIKey=WLNGEHPSYXBRGK-PBWHZOMZSA-N
Formula: C35H44O10
Molecular Weight: 624.719199
Exact Mass: 624.293448
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) | 161.6 |
| 2 (C) | 105.4 |
| 3 (C) | 166.8 |
| 4 (C) | 113.7 |
| 4a (C) | 152.2 |
| 5 (C) | 87.1 |
| 6 (C) | 205.7 |
| 7 (C) | 81.4 |
| 8 (CH) | 75.2 |
| 8a (CH) | 48.8 |
| 9 (C) | 195 |
| 9a (C) | 102.4 |
| 10a (C) | 86.3 |
| 1' (C) | 43.9 |
| 2' (CH) | 90.2 |
| 3' (CH3) | 26.1 |
| 4' (CH3) | 22.1 |
| 5' (CH3) | 13.8 |
| 1'' (CH2) | 24 |
| 2'' (CH) | 45.3 |
| 3'' (C) | 82.4 |
| 4'' (CH3) | 30.5 |
| 5'' (CH3) | 27.2 |
| 1''' (CH3) | 57.4 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.6 |
| 2c (C) | 132.1 |
| 2d (CH3) | 25.8 |
| 2ca (CH3) | 17.7 |
| 5a (CH2) | 28.6 |
| 5b (CH) | 139.3 |
| 5c (C) | 127.4 |
| 5d (CH3) | 20.7 |
| 5e (C) | 172.3 |
| 7a (CH3) | 52.4 |
