7-Hydroxy-8-(3-methyl-1-oxobutyl)-4-s-butyl-6í,6í-dimethylpyrano(2í,3í:5,6)-coumarin

7-Hydroxy-8-(3-methyl-1-oxobutyl)-4-s-butyl-6í,6í-dimethylpyrano(2í,3í:5,6)-coumarin

Common Name: 7-Hydroxy-8-(3-methyl-1-oxobutyl)-4-s-butyl-6í,6í-dimethylpyrano(2í,3í:5,6)-coumarin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H28O5/c1-7-13(4)15-11-17(25)27-22-18(15)21-14(8-9-23(5,6)28-21)20(26)19(22)16(24)10-12(2)3/h8-9,11-13,26H,7,10H2,1-6H3

InChIKey: InChIKey=HSSVTQGQVHCTPV-UHFFFAOYSA-N

Formula: C23H28O5

Molecular Weight: 384.466291

Exact Mass: 384.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cruz, F.G., Silva-Neto, J.T.d., Guedes, M.L.S. J Braz Chem Soc (2000) 12, 117-22

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) 159.6
3 (CH) 107.6
4 (C) 164.1
5 (C) 157.3
6 (C) 106.2
7 (C) 162.9
8 (C) 104.7
9 (C) 156.6
10 (C) 102.8
1' (CH) 37.5
2' (CH2) 29.5
3' (CH3) 11.8
4' (CH3) 20
6a (CH) 116.1
6b (CH) 126.3
6c (C) 79.7
6d (CH3) 28.2
6e (CH3) 28.2
8a (C) 206.3
8b (CH2) 53.6
8c (CH) 25.6
8d (CH3) 22.6
8e (CH3) 22.6