butyl [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate

Systemtic Name: butyl [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate Openeye Name: butyl [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate CAS Name: carbonic acid butyl [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: butyl [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] carbonate Traditional Name: carbonic acid butyl [(8S,9S,10R,13S,14S,17R)-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C26H36O7 MolecularWeight: 460.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)CO

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)CO

InChI

InChI=1S/C26H36O7/c1-4-5-12-32-23(31)33-26(21(30)15-27)11-9-19-18-7-6-16-13-17(28)8-10-24(16,2)22(18)20(29)14-25(19,26)3/h8,10,13,18-20,22,27,29H,4-7,9,11-12,14-15H2,1-3H3/t18-,19-,20?,22+,24-,25-,26-/m0/s1