2-[(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-2-oxidanyl-indene-1,3-dione

Systemtic Name: 2-[(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-2-oxidanyl-indene-1,3-dione Openeye Name: 2-[(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-2-hydroxy-indane-1,3-dione CAS Name: 2-[(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-2-hydroxyindene-1,3-dione IUPAC Name: 2-[(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]-2-hydroxyindene-1,3-dione Traditional Name: 2-hydroxy-2-[(3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxy]indane-1,3-quinone Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36C

Isomeric SMILES

CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36C

InChI

InChI=1S/C28H32O5/c1-26-13-11-17(29)15-16(26)7-8-20-21-9-10-23(27(21,2)14-12-22(20)26)33-28(32)24(30)18-5-3-4-6-19(18)25(28)31/h3-6,15,20-23,32H,7-14H2,1-2H3