4-[3-[[10,13-dimethyl-17-(5-oxidanidyl-5-oxidanylidene-pentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-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

Systemtic Name: 4-[3-[[10,13-dimethyl-17-(5-oxidanidyl-5-oxidanylidene-pentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-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 Openeye Name: 4-[3-[[10,13-dimethyl-17-(1-methyl-4-oxido-4-oxo-butyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-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-[[10,13-dimethyl-17-(5-oxido-5-oxopentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-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 IUPAC Name: 4-[3-[[10,13-dimethyl-17-(5-oxido-5-oxopentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-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-[[17-(4-keto-1-methyl-4-oxido-butyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valerate Formula: C48H76O5-2 MolecularWeight: 733.11404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5CCC6(C(C5)CCC7C6CCC8(C7CCC8C(C)CCC(=O)[O-])C)C)C)C

Isomeric SMILES

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5CCC6(C(C5)CCC7C6CCC8(C7CCC8C(C)CCC(=O)[O-])C)C)C)C

InChI

InChI=1S/C48H78O5/c1-29(7-17-43(49)50)37-13-15-39-35-11-9-31-27-33(19-23-45(31,3)41(35)21-25-47(37,39)5)53-34-20-24-46(4)32(28-34)10-12-36-40-16-14-38(30(2)8-18-44(51)52)48(40,6)26-22-42(36)46/h29-42H,7-28H2,1-6H3,(H,49,50)(H,51,52)/p-2