1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone

1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone

Common Name: 1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H32O16/c1-37-9-5-12-16(21(32)17-10(40-12)3-4-11(38-2)18(17)29)13(6-9)41-27-25(36)23(34)20(31)15(43-27)8-39-26-24(35)22(33)19(30)14(7-28)42-26/h3-6,14-15,19-20,22-31,33-36H,7-8H2,1-2H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1

InChIKey: InChIKey=MMZOSEKWRIIWQX-ONMHTNRHSA-N

Formula: C27H32O16

Molecular Weight: 612.534452

Exact Mass: 612.169035

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Menkovic, N., Savikin-Fodulovic, K., Bulatovic, V., Aljancic, I., Juranic, N., Macura, S., Vajs, V., Milosavljevic, S. Phytochemistry (2002) 61, 415-20

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 (CH) 99.1
3 (C) 166
4 (CH) 94.9
5 (CH) 104.9
6 (CH) 120.6
7 (C) 142.7
8 (C) 150.5
9 (C) 181.5
1' (CH) 100.8
2' (CH) 73.5
3' (CH) 76.6
4' (CH) 69.8
5' (CH) 75.8
6' (CH2) 69
1'' (CH) 103.9
2'' (CH) 73.7
3'' (CH) 76.9
4'' (CH) 70.3
5'' (CH) 77.1
6'' (CH2) 61.2
3a (CH3) 56.7
4a (C) 159.3
7a (CH3) 56.5
8a (C) 108.8
9a (C) 104.9
10a (C) 148.4