(3R,3aR,5aR,6S,9aR,9bR)-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one

Systemtic Name: (3R,3aR,5aR,6S,9aR,9bR)-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one Openeye Name: (3R,3aR,5aR,6S,9aR,9bR)-3-tert-butoxy-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one CAS Name: (3R,3aR,5aR,6S,9aR,9bR)-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one IUPAC Name: (3R,3aR,5aR,6S,9aR,9bR)-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one Traditional Name: (3R,3aR,5aR,6S,9aR,9bR)-3-tert-butoxy-3a-methyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trideuteriomethyl)-1,2,3,4,5,5a,8,9,9a,9b-decahydrobenz[e]inden-7-one Formula: C25H42O4 MolecularWeight: 409.617065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(C)(C)C)CCC(=O)C3(C)CCC4(OCCO4)C

Isomeric SMILES

[2H]C([2H])([2H])[C@@]1([C@@H]2CC[C@@]3([C@@H]([C@H]2CCC1=O)CC[C@H]3OC(C)(C)C)C)CCC4(OCCO4)C

InChI

InChI=1S/C25H42O4/c1-22(2,3)29-21-10-8-18-17-7-9-20(26)23(4,19(17)11-12-24(18,21)5)13-14-25(6)27-15-16-28-25/h17-19,21H,7-16H2,1-6H3/t17-,18-,19-,21-,23+,24-/m1/s1/i4D3