Spektraris NMR
Fesumtuorin F
Common Name: Fesumtuorin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O11/c1-30(2,35)25(33)15-38-29-18-7-10-32(41-24(18)14-22-20(29)9-12-37-22)42-26(31(3,4)43-32)16-39-28-17-5-6-27(34)40-23(17)13-21-19(28)8-11-36-21/h5-14,25-26,33,35H,15-16H2,1-4H3/t25?,26-,32+/m1/s1
InChIKey: InChIKey=JYGBUNBAQUBPQH-GRJQUGLMSA-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) | 120.1 |
| 3 (CH) | 119.2 |
| 4 (CH) | 125.5 |
| 5 (C) | 150.6 |
| 6 (C) | 114.1 |
| 7 (C) | 157.7 |
| 8 (CH) | 94.6 |
| 9 (C) | 151.4 |
| 10 (C) | 109.1 |
| 2' (CH) | 145.1 |
| 3' (CH) | 105.8 |
| 2'' (C) | 163 |
| 3'' (CH) | 112.9 |
| 4'' (CH) | 141.3 |
| 5'' (C) | 149.6 |
| 6'' (C) | 114.1 |
| 7'' (C) | 159.5 |
| 8'' (CH) | 95.5 |
| 9'' (C) | 153.5 |
| 10'' (C) | 108.6 |
| 2''' (CH) | 147.3 |
| 3''' (CH) | 105.8 |
| 2a (C) | 84.2 |
| 2b (CH) | 83.9 |
| 2c (CH2) | 75.7 |
| 2aa (CH3) | 29 |
| 2ab (CH3) | 22.8 |
| 5a (CH2) | 75.4 |
| 5b (CH) | 78.3 |
| 5c (C) | 72.8 |
| 5d (CH3) | 27 |
| 5e (CH3) | 25 |
