Spektraris NMR
Fesumtuorin H
Common Name: Fesumtuorin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H28O10/c1-30(2)23(40-30)15-36-28-19-7-10-32(39-22(19)14-21-20(28)9-12-34-21)41-24(31(3,4)42-32)16-37-29-26-18(8-11-35-26)13-17-5-6-25(33)38-27(17)29/h5-14,23-24H,15-16H2,1-4H3/t23?,24-,32-/m0/s1
InChIKey: InChIKey=NHKGZBLMEIWEAD-YYONYHEJSA-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) | 118.4 |
| 3 (CH) | 118 |
| 4 (CH) | 124.3 |
| 5 (C) | 147.9 |
| 6 (C) | 113.1 |
| 7 (C) | 156.6 |
| 8 (CH) | 95.3 |
| 9 (C) | 150.5 |
| 10 (C) | 107.8 |
| 2' (CH) | 143.6 |
| 3' (CH) | 104.2 |
| 2'' (C) | 160.2 |
| 3'' (CH) | 114.9 |
| 4'' (CH) | 144.2 |
| 5'' (CH) | 113.8 |
| 6'' (C) | 126 |
| 7'' (C) | 147.6 |
| 8'' (C) | 131.3 |
| 9'' (C) | 143.3 |
| 10'' (C) | 116.5 |
| 2''' (CH) | 146.8 |
| 3''' (CH) | 106.8 |
| 2a (C) | 83 |
| 2b (CH) | 80.8 |
| 2c (CH2) | 71.3 |
| 2aa (CH3) | 22.6 |
| 2ab (CH3) | 27.6 |
| 5a (CH2) | 72.2 |
| 5b (CH) | 61.3 |
| 5c (C) | 58.3 |
| 5d (CH3) | 24.6 |
| 5e (CH3) | 18.9 |
