(1S,4aS,5S,8aR)-1-[(2-chloranyl-3,5-dimethoxy-phenyl)methyl]-1,4a-dimethyl-5-oxidanyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-one

Systemtic Name: (1S,4aS,5S,8aR)-1-[(2-chloranyl-3,5-dimethoxy-phenyl)methyl]-1,4a-dimethyl-5-oxidanyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-one Openeye Name: (1S,4aS,5S,8aR)-1-[(2-chloro-3,5-dimethoxy-phenyl)methyl]-5-hydroxy-1,4a-dimethyl-decalin-2-one CAS Name: (1S,4aS,5S,8aR)-1-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5-hydroxy-1,4a-dimethyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-one IUPAC Name: (1S,4aS,5S,8aR)-1-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5-hydroxy-1,4a-dimethyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-one Traditional Name: (1S,4aS,5S,8aR)-1-(2-chloro-3,5-dimethoxy-benzyl)-5-hydroxy-1,4a-dimethyl-decalin-2-one Formula: C21H29ClO4 MolecularWeight: 380.90556

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1CCCC2O)(C)CC3=CC(=CC(=C3Cl)OC)OC

Isomeric SMILES

C[C@]12CCC(=O)[C@@]([C@@H]1CCC[C@@H]2O)(C)CC3=CC(=CC(=C3Cl)OC)OC

InChI

InChI=1S/C21H29ClO4/c1-20-9-8-18(24)21(2,16(20)6-5-7-17(20)23)12-13-10-14(25-3)11-15(26-4)19(13)22/h10-11,16-17,23H,5-9,12H2,1-4H3/t16-,17+,20+,21+/m1/s1