Spektraris NMR
Sulfuric acid hydrogen 1-hydroxy-2,3,7-trimethoxy-9-oxo-9H-xanthene-5-yl ester
Common Name: Sulfuric acid hydrogen 1-hydroxy-2,3,7-trimethoxy-9-oxo-9H-xanthene-5-yl ester
Synonyms: Sulfuric acid hydrogen 1-hydroxy-2,3,7-trimethoxy-9-oxo-9H-xanthene-5-yl ester
CAS Registry Number:
InChI: InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)
InChIKey: InChIKey=PPWIGABBZKSQJC-UHFFFAOYSA-N
Formula: C16H14O10S1
Molecular Weight: 398.343079
Exact Mass: 398.030767
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) | 152.9 |
| 2 (C) | 131.1 |
| 3 (C) | 160 |
| 4 (CH) | 91.4 |
| 4a (C) | 152.6 |
| 5 (C) | 143.2 |
| 6 (CH) | 114.9 |
| 7 (C) | 155 |
| 8 (CH) | 98.3 |
| 8a (C) | 120.2 |
| 9 (C) | 180 |
| 9a (C) | 103 |
| 10a (C) | 142.3 |
| 2a (CH3) | 60 |
| 3a (CH3) | 56.6 |
| 7a (CH3) | 55.7 |
