Spektraris NMR
Fesumtuorin E
Common Name: Fesumtuorin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H28O10/c1-30(2)21(39-30)15-37-29-25-20(9-12-35-25)14-18-7-10-32(41-27(18)29)40-22(31(3,4)42-32)16-36-28-24-19(8-11-34-24)13-17-5-6-23(33)38-26(17)28/h5-14,21-22H,15-16H2,1-4H3/t21?,22-,32+/m0/s1
InChIKey: InChIKey=DGFLEVFPESLTBR-HJMAHHELSA-N
Formula: C32H28O10
Molecular Weight: 572.559939
Exact Mass: 572.168247
NMR Solvent: CDCl3
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) | 117.5 |
| 3 (CH) | 119.1 |
| 4 (CH) | 130 |
| 5 (CH) | 113.4 |
| 6 (C) | 122.8 |
| 7 (C) | 147.9 |
| 8 (C) | 132 |
| 9 (C) | 141.7 |
| 10 (C) | 117.2 |
| 2' (CH) | 145 |
| 3' (CH) | 106.8 |
| 2'' (C) | 160.2 |
| 3'' (CH) | 114.8 |
| 4'' (CH) | 144.3 |
| 5'' (CH) | 113.8 |
| 6'' (C) | 126.1 |
| 7'' (C) | 147.9 |
| 8'' (C) | 131.3 |
| 9'' (C) | 143.2 |
| 10'' (C) | 116.5 |
| 2''' (CH) | 146.8 |
| 3''' (CH) | 106.8 |
| 2a (C) | 83.2 |
| 2b (CH) | 80.9 |
| 2c (CH2) | 71.3 |
| 2aa (CH3) | 22.6 |
| 2ab (CH3) | 27.9 |
| 8a (CH2) | 72 |
| 8b (CH) | 61.5 |
| 8c (C) | 58.3 |
| 8d (CH3) | 24.6 |
| 8e (CH3) | 18.7 |
