13274-42-5 Purity
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Specification
The molecular formula of Monascorubrin is C23H26O5.
The molecular weight of Monascorubrin is 382.4 g/mol.
The IUPAC name of Monascorubrin is (9aR)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione.
The InChIKey of Monascorubrin is IIPVSGPTPPURBD-HAOIVFDCSA-N.
The canonical SMILES of Monascorubrin is CCCCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)C2(OC1=O)C)C=CC.
Monascorubrin has 0 hydrogen bond donor counts.
The XLogP3-AA value of Monascorubrin is 4.3.
The topological polar surface area of Monascorubrin is 69.7 Ų.
The heavy atom count of Monascorubrin is 28.
The complexity value of Monascorubrin is 865.