Common Name: (8-Geranoxy-5-methoxypsoralen
Synonyms: (8-Geranoxy-5-methoxypsoralen
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
InChIKey: InChIKey=CTPXXQMJFXTTQZ-XNTDXEJSSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
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)
Position | PPM |
---|---|
2 (C) | 160.5 |
3 (CH) | 112.8 |
4 (CH) | 139.4 |
5 (C) | 144.5 |
6 (C) | 114.5 |
7 (C) | 150.9 |
8 (C) | 126.8 |
2' (CH) | 145.1 |
3' (CH) | 105.1 |
4a (C) | 107.2 |
5a (CH3) | 60.8 |
8a (C) | 144.4 |
8b (CH2) | 70.2 |
8c (CH) | 119.5 |
8d (C) | 143.1 |
8e (CH2) | 39.6 |
8f (CH2) | 26.4 |
8g (CH) | 123.8 |
8h (C) | 131.7 |
8i (CH3) | 25.6 |
8ad (CH3) | 16.5 |
8ah (CH3) | 17.6 |