381683-94-9 Purity
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Specification
The molecular formula is C33H26O10.
The molecular weight is 582.6 g/mol.
The IUPAC name is 6-[(3,4-dihydroxyphenyl)methyl]-9,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxybenzo[a]xanthen-2-one.
The InChI is InChI=1S/C33H26O10/c1-40-27-12-17(34)5-6-18(27)29-19-13-28(41-2)31(39)33(42-3)30(19)21-10-16-11-24(37)25(38)14-26(16)43-32(21)20(29)8-15-4-7-22(35)23(36)9-15/h4-7,9-14,34-38H,8H2,1-3H3.
The CAS number is 38185-48-7.
The XLogP3-AA value is 3.7.
The compound has 5 hydrogen bond donor counts.
The compound has 10 hydrogen bond acceptor counts.
The compound has 6 rotatable bond counts.
The topological polar surface area is 155 ?2.