hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-7,11,13-trimethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate

Systemtic Name: hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-7,11,13-trimethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate Openeye Name: hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate CAS Name: carbonic acid hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate Traditional Name: carbonic acid hexyl [(7R,8R,9S,10R,11S,13S,14S,17S)-3-keto-7,11,13-trimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H42O4 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OC1CCC2C1(CC(C3C2C(CC4=CC(=O)CCC34)C)C)C

Isomeric SMILES

CCCCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@H]34)C)C)C

InChI

InChI=1S/C27H42O4/c1-5-6-7-8-13-30-26(29)31-23-12-11-22-25-17(2)14-19-15-20(28)9-10-21(19)24(25)18(3)16-27(22,23)4/h15,17-18,21-25H,5-14,16H2,1-4H3/t17-,18+,21+,22+,23+,24-,25+,27+/m1/s1