Spektraris NMR
Fesumtuorin A
Common Name: Fesumtuorin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O8/c1-10(20)18(22)27-15(19(2,3)23)9-25-17-11-4-5-16(21)26-14(11)8-13-12(17)6-7-24-13/h4-8,10,15,20,23H,9H2,1-3H3
InChIKey: InChIKey=QMXUAUXRLSELKY-UHFFFAOYSA-N
Formula: C19H20O8
Molecular Weight: 376.358037
Exact Mass: 376.115818
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhou, P., Takaishi, Y., Duan, H., Chen, B., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K., Lee, K.H. Phytochemistry (2000) 53, 689-97
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 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 |
|---|---|
| 2 (C) | 163.1 |
| 3 (CH) | 113.2 |
| 4 (CH) | 141.2 |
| 5 (C) | 150 |
| 6 (C) | 114.3 |
| 7 (C) | 159.8 |
| 8 (CH) | 94.6 |
| 9 (C) | 153.8 |
| 10 (C) | 107.6 |
| 2' (CH) | 146.9 |
| 3' (CH) | 106.2 |
| 5a (CH2) | 72.9 |
| 5b (CH) | 79.5 |
| 5c (C) | 71.6 |
| 5d (CH3) | 26.9 |
| 5e (CH3) | 25.7 |
| 5ba (C) | 176 |
| 5bb (CH) | 68 |
| 5bc (CH3) | 20.6 |
