[(1R,2R,4bS,8aS,10aR)-4-acetyloxy-1-(methoxymethoxy)-4b,8,8-trimethyl-7-oxidanylidene-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(1R,2R,4bS,8aS,10aR)-4-acetyloxy-1-(methoxymethoxy)-4b,8,8-trimethyl-7-oxidanylidene-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(1R,2R,4bS,8aS,10aR)-4-acetoxy-1-(methoxymethoxy)-4b,8,8-trimethyl-7-oxo-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1R,2R,4bS,8aS,10aR)-4-acetyloxy-1-(methoxymethoxy)-4b,8,8-trimethyl-7-oxo-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl ester IUPAC Name: [(1R,2R,4bS,8aS,10aR)-4-acetyloxy-1-(methoxymethoxy)-4b,8,8-trimethyl-7-oxo-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1R,2R,4bS,8aS,10aR)-4-acetoxy-7-keto-1-(methoxymethoxy)-4b,8,8-trimethyl-2,3,4,4a,5,6,8a,10a-octahydro-1H-phenanthren-2-yl]methyl ester Formula: C27H42O7 MolecularWeight: 478.61818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C2C1C3(CCC(=O)C(C3C=C2)(C)C)C)OCOC)COC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1C[C@@H]([C@@H]([C@H]2C1[C@]3(CCC(=O)C([C@H]3C=C2)(C)C)C)OCOC)COC(=O)C(C)(C)C

InChI

InChI=1S/C27H42O7/c1-16(28)34-19-13-17(14-32-24(30)25(2,3)4)23(33-15-31-8)18-9-10-20-26(5,6)21(29)11-12-27(20,7)22(18)19/h9-10,17-20,22-23H,11-15H2,1-8H3/t17-,18-,19?,20-,22?,23+,27+/m1/s1