Spektraris NMR
Sulfuric acid hydrogen 1-hydroxy-2,3-dimethoxy-9-oxo-9H-xanthene-5-yl ester
Common Name: Sulfuric acid hydrogen 1-hydroxy-2,3-dimethoxy-9-oxo-9H-xanthene-5-yl ester
Synonyms: Sulfuric acid hydrogen 1-hydroxy-2,3-dimethoxy-9-oxo-9H-xanthene-5-yl ester
CAS Registry Number:
InChI: InChI=1S/C15H12O9S/c1-21-10-6-9-11(13(17)15(10)22-2)12(16)7-4-3-5-8(14(7)23-9)24-25(18,19)20/h3-6,17H,1-2H3,(H,18,19,20)
InChIKey: InChIKey=LGTKFNVJRQOFOQ-UHFFFAOYSA-N
Formula: C15H12O9S1
Molecular Weight: 368.317057
Exact Mass: 368.020203
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yuan, W., Zhang, L.P., Cheng, K.D., Zhu, P., Wang, Q., He, H.X., Zhu, H.X. J Nat Prod (2006) 69, 811-4
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) | 153.2 |
| 2 (C) | 131.2 |
| 3 (C) | 160.1 |
| 4 (CH) | 91.6 |
| 4a (C) | 152.8 |
| 5 (C) | 142.1 |
| 6 (CH) | 123.6 |
| 7 (CH) | 125.8 |
| 8 (CH) | 118.5 |
| 8a (C) | 120.5 |
| 9 (C) | 180.4 |
| 9a (C) | 103.2 |
| 10a (C) | 147.1 |
| 2a (CH3) | 60.04 |
| 3a (CH3) | 56.65 |
