Spektraris NMR
Fesumtuorin B
Common Name: Fesumtuorin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O8/c1-10(20)18(22)26-13(19(2,3)23)9-25-17-15-12(6-7-24-15)8-11-4-5-14(21)27-16(11)17/h4-8,10,13,20,23H,9H2,1-3H3
InChIKey: InChIKey=NQDSCKNZAUZAQU-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) | 162.8 |
| 3 (CH) | 115.1 |
| 4 (CH) | 146.7 |
| 5 (CH) | 115.4 |
| 6 (C) | 127.9 |
| 7 (C) | 149.2 |
| 8 (C) | 132.4 |
| 9 (C) | 144.4 |
| 10 (C) | 118.6 |
| 2' (CH) | 148.6 |
| 3' (CH) | 108 |
| 8a (CH2) | 73.6 |
| 8b (CH) | 79.4 |
| 8c (C) | 176 |
| 8d (CH) | 68 |
| 8e (CH3) | 20.5 |
| 8ba (C) | 71.8 |
| 8bb (CH3) | 26.9 |
| 8bc (CH3) | 25.8 |
