methyl (1R,2R,3R)-9-acetyloxy-8-methoxy-3-methyl-1-(3-methylbutyl)-10-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-anthracene-2-carboxylate

Systemtic Name: methyl (1R,2R,3R)-9-acetyloxy-8-methoxy-3-methyl-1-(3-methylbutyl)-10-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-anthracene-2-carboxylate Openeye Name: methyl (1R,2R,3R)-9-acetoxy-10-hydroxy-1-isopentyl-8-methoxy-3-methyl-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylate CAS Name: (1R,2R,3R)-9-acetyloxy-10-hydroxy-8-methoxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,3R)-9-acetyloxy-10-hydroxy-8-methoxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylate Traditional Name: (1R,2R,3R)-9-acetoxy-10-hydroxy-1-isoamyl-4-keto-8-methoxy-3-methyl-2,3-dihydro-1H-anthracene-2-carboxylic acid methyl ester Formula: C25H30O7 MolecularWeight: 442.5015

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=C(C3=C(C=CC=C3OC)C(=C2C1=O)O)OC(=O)C)CCC(C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](C2=C(C3=C(C=CC=C3OC)C(=C2C1=O)O)OC(=O)C)CCC(C)C)C(=O)OC

InChI

InChI=1S/C25H30O7/c1-12(2)10-11-15-18(25(29)31-6)13(3)22(27)21-20(15)24(32-14(4)26)19-16(23(21)28)8-7-9-17(19)30-5/h7-9,12-13,15,18,28H,10-11H2,1-6H3/t13-,15-,18+/m1/s1