cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate

Systemtic Name: cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Openeye Name: cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate CAS Name: carbonic acid cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Traditional Name: carbonic acid cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)OCC4CCCCC4)CCC5=CC(=O)CCC35C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)OCC4CCCCC4)CCC5=CC(=O)CC[C@]35C

InChI

InChI=1S/C27H40O4/c1-26-14-12-20(28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)30-17-18-6-4-3-5-7-18/h16,18,21-24H,3-15,17H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1