(8-Geranoxy-5-methoxypsoralen

(8-Geranoxy-5-methoxypsoralen

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)

Carbon NMR Peaks

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