3,3-Dimethyl-5-(3-methyl-2-butenyl)-6,10,11-trihydroxy-3H,7H-pyrano[2,3-c]xanthene-7-one

3,3-Dimethyl-5-(3-methyl-2-butenyl)-6,10,11-trihydroxy-3H,7H-pyrano[2,3-c]xanthene-7-one

Common Name: 3,3-Dimethyl-5-(3-methyl-2-butenyl)-6,10,11-trihydroxy-3H,7H-pyrano[2,3-c]xanthene-7-one

Synonyms: 3,3-Dimethyl-5-(3-methyl-2-butenyl)-6,10,11-trihydroxy-3H,7H-pyrano[2,3-c]xanthene-7-one

CAS Registry Number:

InChI: InChI=1S/C23H22O6/c1-11(2)5-6-12-17(25)16-18(26)13-7-8-15(24)19(27)22(13)28-21(16)14-9-10-23(3,4)29-20(12)14/h5,7-10,24-25,27H,6H2,1-4H3

InChIKey: InChIKey=NMZYXFLWKXLXAQ-UHFFFAOYSA-N

Formula: C23H22O6

Molecular Weight: 394.418052

Exact Mass: 394.141638

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, N.Y., Han, Q.B., Cao, X.W., Qiao, C.F., Song, J.Z., Chen, S.L., Yang, D.J., Yiu, H., Xu, H.X. Chem Pharm Bull (2007) 55, 950-2

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) 160.8
2 (C) 112
3 (C) 158.7
4 (C) 101.9
4a (C) 150.9
5 (C) 133
6 (C) 152.4
7 (CH) 113.6
8 (CH) 117.8
8a (C) 114.8
9 (C) 181.3
9a (C) 103.1
10a (C) 147
1' (CH2) 21.7
2' (CH) 123.1
3' (C) 131.5
4' (CH3) 18
5' (CH3) 25.9
1'' (CH) 116.3
2'' (CH) 127.7
3'' (C) 78.8
4'' (CH3) 28.3
5'' (CH3) 28.3