Spektraris NMR
Scortechinone R
Common Name: Scortechinone R
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+/m1/s1
InChIKey: InChIKey=HNSYUDVBSKCUEM-MBEIWMADSA-N
Formula: C34H40O10
Molecular Weight: 608.6767
Exact Mass: 608.262148
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) | 164.1 |
| 2 (C) | 102.3 |
| 3 (C) | 168.3 |
| 4 (C) | 113.8 |
| 4a (C) | 154.4 |
| 5 (C) | 84 |
| 6 (C) | 203.1 |
| 7 (C) | 85.1 |
| 8 (CH) | 134.8 |
| 8a (C) | 132.4 |
| 9 (C) | 177.9 |
| 9a (C) | 101.3 |
| 10a (C) | 89.1 |
| 1' (CH2) | 30.6 |
| 2' (CH) | 49.6 |
| 3' (C) | 83.6 |
| 4' (CH3) | 30.7 |
| 5' (CH3) | 28.7 |
| 2a (CH2) | 28.3 |
| 2b (CH) | 74.8 |
| 2c (C) | 147.1 |
| 2d (CH3) | 18.3 |
| 2e (CH2) | 110.6 |
| 3a (C) | 43.1 |
| 3b (CH) | 91.1 |
| 3c (CH3) | 13.7 |
| 3d (CH3) | 21.1 |
| 3e (CH3) | 23.6 |
| 5a (CH2) | 28.9 |
| 5b (CH) | 135.7 |
| 5c (C) | 129.4 |
| 5d (CH3) | 21.2 |
| 5e (C) | 167.8 |
| 7a (CH3) | 53.9 |
