Products 72063-39-9

CAS 72063-39-9 appears in our catalog under these names: Spinosin, >95% (HPLC), Spinosin, Spinosin/ 98.68% (existing batch purity), Spinosin, >95.0%(HPLC), Spinosin 95%. Offered by: TRC, GLPBio, TargetMol, TCI, Biosynth. Available pack sizes: 100mg, 10mg, 25mg, 5mg, 50mg, 20mg, 1mg, 250mg.

Structural formula: {0} (CAS {1})

Spinosin is a flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5 and 4', a methoxy group at position 7 and a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue at position 6 via a C-glycosidic linkage. It has a role as an anxiolytic drug and a plant metabolite. It is a monomethoxyflavone, a dihydroxyflavone and a flavone C-glycoside. It is functionally related to a flavone.

Source: ChEBI

Identity
Molecular formulaC28H32O15
Molecular weight608.5 g/mol
IUPAC name6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChIKeyVGGSULWDCMWZPO-ODEMIOGVSA-N
SMILESCOC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed by PubChem (NCBI)