Spektraris NMR
Arcapillin
Common Name: Arcapillin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-13-4-8(9(19)5-10(13)20)12-6-11(21)16-14(26-12)7-15(24-2)18(25-3)17(16)22/h4-7,19-20,22H,1-3H3
InChIKey: InChIKey=IZWKTABKAJGBFW-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Namba, T., Hattori, M., Takehana, Y., Tsunezuka, M., Tomimori, T., Kizu, H., Miyaichi, Y. Phytochemistry (1983) 22, 1057-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 162.4 |
| 3 (CH) | 107.5 |
| 4 (C) | 182.5 |
| 5 (C) | 152.8 |
| 6 (C) | 132.1 |
| 7 (C) | 158.7 |
| 8 (CH) | 91.7 |
| 9 (C) | 153.3 |
| 10 (C) | 105.1 |
| 1' (C) | 107.1 |
| 2' (C) | 152.2 |
| 3' (CH) | 104.8 |
| 4' (C) | 152.2 |
| 5' (C) | 141.9 |
| 6' (CH) | 112.9 |
| 6a (CH3) | 60.1 |
| 7a (CH3) | 56.5 |
| 5'a (CH3) | 57.2 |
