Spektraris NMR
Fesumtuorin C
Common Name: Fesumtuorin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O11/c1-31(2,36)24(16-40-30-27-18(9-11-38-27)13-17-5-7-26(35)42-28(17)30)43-32(3,4)23(33)15-39-29-19-6-8-25(34)41-22(19)14-21-20(29)10-12-37-21/h5-14,23-24,33,36H,15-16H2,1-4H3
InChIKey: InChIKey=IIVLKXAGPYYIDA-UHFFFAOYSA-N
Formula: C32H30O11
Molecular Weight: 590.575226
Exact Mass: 590.178812
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) | 162.6 |
| 3 (CH) | 114.9 |
| 4 (CH) | 146.7 |
| 5 (CH) | 114.4 |
| 6 (C) | 128 |
| 7 (C) | 148.2 |
| 8 (C) | 132.4 |
| 9 (C) | 143.4 |
| 10 (C) | 117.8 |
| 2' (CH) | 148.2 |
| 3' (CH) | 107.9 |
| 2'' (C) | 163.2 |
| 3'' (CH) | 112.4 |
| 4'' (CH) | 141.4 |
| 5'' (C) | 150.4 |
| 6'' (C) | 114.9 |
| 7'' (C) | 159.5 |
| 8'' (CH) | 94.1 |
| 9'' (C) | 153.3 |
| 10'' (C) | 107.9 |
| 2''' (CH) | 146.5 |
| 3''' (CH) | 106.3 |
| 8a (CH2) | 75.9 |
| 8b (CH) | 79.5 |
| 8c (C) | 79.5 |
| 8d (CH) | 77 |
| 8e (CH2) | 75.7 |
| 8ba (C) | 73.1 |
| 8bb (CH3) | 27.1 |
| 8bc (CH3) | 26.2 |
| 8ca (CH3) | 23.3 |
| 8cb (CH3) | 24 |
