5-Hydroxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

5-Hydroxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

Common Name: 5-Hydroxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H24O5/c1-6-8-13-11-15(23)26-20-14-9-10-22(4,5)27-21(14)17(19(25)16(13)20)18(24)12(3)7-2/h7,9-11,25H,6,8H2,1-5H3/b12-7+

InChIKey: InChIKey=NMJOGWRZGFLRSM-KPKJPENVSA-N

Formula: C22H24O5

Molecular Weight: 368.423792

Exact Mass: 368.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Palmer, C.J., Josephs, J.L. J Chem Soc, Perkin Trans 1 (1995) 0, 3135-52

Species:

Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) 160.1
3 (CH) 110.3
4 (C) 159.1
5 (C) 162.1
6 (C) 107
7 (C) 156.4
8 (C) 101.6
9 (C) 154.4
10 (C) 102.9
1' (CH2) 38.3
2' (CH2) 22.7
3' (CH3) 14
6a (C) 202.7
6b (C) 139.6
6c (CH) 131.3
6d (CH3) 13.9
6e (CH3) 12.7
8a (CH) 115.2
8b (CH) 126.6
8c (C) 78.9
8d (CH3) 28.3
8e (CH3) 28.3