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

Systemtic Name: (1S,4aS,5S,8aR)-1-[(3,5-dimethoxyphenyl)methyl]-1,4a-dimethyl-5-oxidanyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-one Openeye Name: (1S,4aS,5S,8aR)-1-[(3,5-dimethoxyphenyl)methyl]-5-hydroxy-1,4a-dimethyl-decalin-2-one CAS Name: (1S,4aS,5S,8aR)-1-[(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-[(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-(3,5-dimethoxybenzyl)-5-hydroxy-1,4a-dimethyl-decalin-2-one Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1CCCC2O)(C)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[C@]12CCC(=O)[C@@]([C@@H]1CCC[C@@H]2O)(C)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H30O4/c1-20-9-8-19(23)21(2,17(20)6-5-7-18(20)22)13-14-10-15(24-3)12-16(11-14)25-4/h10-12,17-18,22H,5-9,13H2,1-4H3/t17-,18+,20+,21+/m1/s1