Products 21516-68-7

CAS 21516-68-7 appears in our catalog under these names: Monascin, (3S,3aR,9aR)-3-Hexanoyl-9a-methyl-6-((E)-prop-1-en-1-yl)-3a,4,8,9a-tetrahydro-2H-furo[3,2-g]isochromene-2,9(3H)-dione, Monascin (Standard), Monascin, 99.79%, Monascin, 2 mg. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Sigma-Aldrich. Available pack sizes: on request, 1mg, 500ug, 5mg, 2mg, 10mg, 25MG, Get quote.

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

Monascin is an organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours. It has a role as an antineoplastic agent, an antilipemic drug, a PPARgamma agonist and a fungal metabolite. It is a polyketide, an organic heterotricyclic compound, a gamma-lactone and an alpha,beta-unsaturated ketone.

Source: ChEBI

Identity
Molecular formulaC21H26O5
Molecular weight358.4 g/mol
IUPAC name(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione
InChIKeyXXKNHBAFFJINCK-RVEJDSBJSA-N
SMILESCCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C

Computed by PubChem (NCBI)