(R)-(+)-6-(2'-hidroxy-3'-methyl-3'-butenyl)-7-methoxycoumarin

(R)-(+)-6-(2'-hidroxy-3'-methyl-3'-butenyl)-7-methoxycoumarin

Common Name: (R)-(+)-6-(2'-hidroxy-3'-methyl-3'-butenyl)-7-methoxycoumarin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H26O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,27-28H,3,8-9H2,1-2,4-6H3

InChIKey: InChIKey=CTHBSTBJHULKMD-UHFFFAOYSA-N

Formula: C25H26O7

Molecular Weight: 438.470692

Exact Mass: 438.167853

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Johns, S.R., Lamberton, J.A., Morton, T.C., Suares, H., Willing, R.I. Aust J Chem (1983) 36, 2537-47

Species:

Notes: Family : Aromatics, Type : Xanthones; 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
1 (C) 159.5
2 (C) 111.5
3 (C) 163.6
4 (CH) 89.1
4a (C) 155.3
5 (CH) 102.6
6 (C) 155.4
7 (C) 143.9
8 (C) 129.7
8a (C) 112.2
9 (C) 181.4
9a (C) 103.6
10a (C) 154.7
1' (CH2) 37.4
2' (C) 199.7
3' (C) 144.8
4' (CH2) 124
5' (CH3) 18
2a (CH2) 21.3
2b (CH) 122.3
2c (C) 131.6
2d (CH3) 25.8
2e (CH3) 17.8
3a (CH3) 55.8
7a (CH3) 62.2