[(8S,9R,10S,13S,14S,16S,17R)-17-(2-imidazol-1-ylethanoyl)-10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl carbonate

Systemtic Name: [(8S,9R,10S,13S,14S,16S,17R)-17-(2-imidazol-1-ylethanoyl)-10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-imidazol-1-ylacetyl)-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,16S,17R)-17-hydroxy-17-[2-(1-imidazolyl)-1-oxoethyl]-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl ester IUPAC Name: [(8S,9R,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-imidazol-1-ylacetyl)-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl carbonate Traditional Name: carbonic acid [(8S,9R,10S,13S,14S,16S,17R)-17-hydroxy-17-(2-imidazol-1-ylacetyl)-3-keto-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-9-yl] methyl ester Formula: C27H36N2O6 MolecularWeight: 484.58454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)CCC4(C3(CCC2(C1(C(=O)CN5C=CN=C5)O)C)OC(=O)OC)C

Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3(CC[C@@]2([C@]1(C(=O)CN5C=CN=C5)O)C)OC(=O)OC)C

InChI

InChI=1S/C27H36N2O6/c1-17-13-21-20-6-5-18-14-19(30)7-8-24(18,2)26(20,35-23(32)34-4)10-9-25(21,3)27(17,33)22(31)15-29-12-11-28-16-29/h11-12,14,16-17,20-21,33H,5-10,13,15H2,1-4H3/t17-,20-,21-,24-,25-,26+,27-/m0/s1