1-cyanoethyl 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: 1-cyanoethyl 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: 1-cyanoethyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate CAS Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Traditional Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid 1-cyanoethyl ester Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC(C)C#N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Isomeric SMILES

CC(CCC(=O)OC(C)C#N)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChI

InChI=1S/C27H43NO5/c1-15(5-8-24(32)33-16(2)14-28)19-6-7-20-25-21(13-23(31)27(19,20)4)26(3)10-9-18(29)11-17(26)12-22(25)30/h15-23,25,29-31H,5-13H2,1-4H3