2-[[4-[[17-(5-ethyl-6-methyl-heptan-2-yl)-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]-1-oxidanyl-4-oxidanylidene-butoxy]-oxidanylidene-phosphaniumyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[4-[[17-(5-ethyl-6-methyl-heptan-2-yl)-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]-1-oxidanyl-4-oxidanylidene-butoxy]-oxidanylidene-phosphaniumyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[4-[[17-(4-ethyl-1,5-dimethyl-hexyl)-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]-1-hydroxy-4-oxo-butoxy]-oxo-phosphaniumyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[4-[[17-(5-ethyl-6-methylheptan-2-yl)-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]-1-hydroxy-4-oxobutoxy]-oxophosphiniumyl]oxyethyl-trimethylammonium IUPAC Name: 2-[[4-[[17-(5-ethyl-6-methylheptan-2-yl)-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]-1-hydroxy-4-oxobutoxy]-oxophosphaniumyl]oxyethyl-trimethylazanium Traditional Name: 2-[[4-[[17-(4-ethyl-1,5-dimethyl-hexyl)-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]-1-hydroxy-4-keto-butoxy]-keto-phosphiniumyl]oxyethyl-trimethyl-ammonium Formula: C38H70NO6P+2 MolecularWeight: 667.939261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCC(O)O[P+](=O)OCC[N+](C)(C)C)C)C)C(C)C

Isomeric SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCC(O)O[P+](=O)OCC[N+](C)(C)C)C)C)C(C)C

InChI

InChI=1S/C38H70NO6P/c1-10-28(26(2)3)12-11-27(4)32-15-16-33-31-14-13-29-25-30(19-21-37(29,5)34(31)20-22-38(32,33)6)44-35(40)17-18-36(41)45-46(42)43-24-23-39(7,8)9/h26-34,36,41H,10-25H2,1-9H3/q+2