3-Isomangostin Hydrate Formate

Catalog	BBC925705368
CAS	925705-36-8
Structure
Synonyms	7-[3-(Formyloxy)-3-methylbutyl]-3,4-dihydro-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
IUPAC Name	[4-(5,9-dihydroxy-8-methoxy-2,2-dimethyl-6-oxo-3,4-dihydrochromeno[7,6-b]chromen-7-yl)-2-methylbutan-2-yl] formate;hydrate
Molecular Weight	456.49
Molecular Formula	C25H28O8
Canonical SMILES	CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C(=C4CCC(C)(C)OC=O)OC)O)C.O
InChI	InChI=1S/C25H28O8.H₂O/c1-24(2,31-12-26)8-7-14-19-17(10-15(27)23(14)30-5)32-18-11-16-13(6-9-25(3,4)33-16)21(28)20(18)22(19)29;/h10-12,27-28H,6-9H2,1-5H3;1H2
InChI Key	KQUSCBSXBQXBQP-UHFFFAOYSA-N
Purity	98%
Appearance	Solid