Description
IUPAC Name: (3E,9aR)-3-(1-hydroxyhexylidene)-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isoquinoline-2,9-dione
InChI: InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,23H,4,6-7,9H2,1-3H3/b8-5+,18-17+/t21-/m1/s1
InChIKey: WTEXYKPGDKLLCW-CLFFMEQDSA-N
Canonical SMILES: CCCCCC(=C1C2=CC3=CC(=NC=C3C(=O)C2(OC1=O)C)C=CC)O
Isomeric SMILES: CCCCC/C(=C1/C2=CC3=CC(=NC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C)/O
Synonyms: Rubropunctamine; 514-66-9; (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7H-furo[3,2-g]isoquinoline-2,9-dione; (3E,9aR)-3-(1-hydroxyhexylidene)-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isoquinoline-2,9-dione; AKOS040747462; 1ST2464; DA-77585
Botanical Source: Monascus