(1R,3aS,3bS,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-1,10-bis(oxidanyl)-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one

Systemtic Name: (1R,3aS,3bS,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-1,10-bis(oxidanyl)-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one Openeye Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5-chloro-1,10-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one CAS Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5-chloro-1,10-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h][2]benzopyran-7-one IUPAC Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5-chloro-1,10-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one Traditional Name: (1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5-chloro-1,10-dihydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroinden[4,5-h]isochromen-7-one Formula: C20H25ClO5 MolecularWeight: 380.8625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CC(C3C2C=C(C4=CC(=O)OCC34C)Cl)O)C)O

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)O)C)O

InChI

InChI=1S/C20H25ClO5/c1-10(22)20(25)5-4-12-11-6-14(21)13-7-16(24)26-9-18(13,2)17(11)15(23)8-19(12,20)3/h6-7,11-12,15,17,23,25H,4-5,8-9H2,1-3H3/t11-,12-,15?,17+,18-,19-,20-/m0/s1