Spektraris NMR
Scortechinone T
Common Name: Scortechinone T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O9/c1-17(2)11-12-20-25(37)22-26(38)23-29(40-9)33(41-10)15-21-32(7,8)44-34(30(33)39,14-13-18(3)16-36)35(21,23)43-28(22)24-27(20)42-19(4)31(24,5)6/h11,13,16,19,21,23,29,37H,12,14-15H2,1-10H3/b18-13+/t19-,21?,23-,29-,33+,34+,35+/m0/s1
InChIKey: InChIKey=UMRUGVMKZFBRLT-VWCXBWRCSA-N
Formula: C35H44O9
Molecular Weight: 608.719794
Exact Mass: 608.298533
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sukpondma, Y., Rukachaisirikul, V., Phongpaichit, S. J Nat Prod (2005) 68, 1010-7
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) | 105.6 |
| 3 (C) | 166.9 |
| 4 (C) | 113.6 |
| 4a (C) | 152 |
| 5 (C) | 87.1 |
| 6 (C) | 205.4 |
| 7 (C) | 81.7 |
| 8 (CH) | 75.3 |
| 8a (CH) | 49.3 |
| 9 (C) | 191.7 |
| 9a (C) | 102.4 |
| 10a (C) | 86.1 |
| 1' (CH2) | 23.8 |
| 2' (CH) | 45.3 |
| 3' (C) | 82.2 |
| 4' (CH3) | 30.5 |
| 5' (CH3) | 27.3 |
| 1'' (CH3) | 57.7 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.4 |
| 2c (C) | 133 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.7 |
| 3a (C) | 43.9 |
| 3b (CH) | 90.1 |
| 3c (CH3) | 13.8 |
| 3d (CH3) | 26.2 |
| 3e (CH3) | 22.3 |
| 5a (CH2) | 27.9 |
| 5b (CH) | 148.6 |
| 5c (C) | 139.8 |
| 5d (CH) | 195 |
| 5e (CH3) | 9.4 |
| 7a (CH3) | 52.3 |
