[2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-bis(chloranyl)-10,13,16-trimethyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dicyclohexylmethyl carbonate

Systemtic Name: [2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-bis(chloranyl)-10,13,16-trimethyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dicyclohexylmethyl carbonate Openeye Name: [2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dicyclohexylmethyl carbonate CAS Name: carbonic acid [2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dicyclohexylmethyl ester IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dicyclohexylmethyl carbonate Traditional Name: carbonic acid [2-[(8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] dicyclohexylmethyl ester Formula: C36H50Cl2O5 MolecularWeight: 633.6852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)OC(C5CCCCC5)C6CCCCC6)C)Cl)Cl)C

Isomeric SMILES

CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)OC(C5CCCCC5)C6CCCCC6)C)Cl)Cl)C

InChI

InChI=1S/C36H50Cl2O5/c1-22-18-28-27-15-14-25-19-26(39)16-17-35(25,3)36(27,38)30(37)20-34(28,2)31(22)29(40)21-42-33(41)43-32(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h16-17,19,22-24,27-28,30-32H,4-15,18,20-21H2,1-3H3/t22?,27-,28-,30-,31+,34-,35-,36-/m0/s1