2,3-Dihydro-9-(1-methylpropyl)-2-(1-hydroxy-1-methylethyl)-4-hydroxy-5-(4-hydroxy-3-methylbutyryl)-7H-furo[2,3-f][1]benzopyran-7-one

2,3-Dihydro-9-(1-methylpropyl)-2-(1-hydroxy-1-methylethyl)-4-hydroxy-5-(4-hydroxy-3-methylbutyryl)-7H-furo[2,3-f][1]benzopyran-7-one

Common Name: 2,3-Dihydro-9-(1-methylpropyl)-2-(1-hydroxy-1-methylethyl)-4-hydroxy-5-(4-hydroxy-3-methylbutyryl)-7H-furo[2,3-f][1]benzopyran-7-one

Synonyms: 2,3-Dihydro-9-(1-methylpropyl)-2-(1-hydroxy-1-methylethyl)-4-hydroxy-5-(4-hydroxy-3-methylbutyryl)-7H-furo[2,3-f][1]benzopyran-7-one

CAS Registry Number:

InChI: InChI=1S/C23H30O7/c1-6-12(3)13-9-17(26)30-22-18(13)21-14(8-16(29-21)23(4,5)28)20(27)19(22)15(25)7-11(2)10-24/h9,11-12,16,24,27-28H,6-8,10H2,1-5H3

InChIKey: InChIKey=SEOKXJVXVXDUFN-UHFFFAOYSA-N

Formula: C23H30O7

Molecular Weight: 418.480983

Exact Mass: 418.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Scio, E., Ribeiro, A., Alves, T.M., Romanha, A.J., Shin, Y.G., Cordell, G.A., Zani, C.L. J Nat Prod (2003) 66, 634-7

Species:

Notes: Family : Chromans, Type : Coumarins, Group : 4-Alkylcoumarins; 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) 160.9
3 (CH) 106.2
4 (C) 163.8
5 (C) 162.2
6 (C) 110.7
7 (C) 163.2
8 (C) 105
9 (C) 156.9
10 (C) 99.4
1' (CH) 37.3
2' (CH2) 28.7
3' (CH3) 11.8
4' (CH3) 19.2
6a (CH2) 26.4
6b (CH) 92.9
6c (C) 71.6
6d (CH3) 26
6e (CH3) 24.6
8a (C) 205.6
8b (CH2) 48.7
8c (CH) 32.8
8d (CH2) 68.1
8e (CH3) 16.2