2-[2-[2-[[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]ethoxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide

Systemtic Name: 2-[2-[2-[[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]ethoxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide Openeye Name: 2-[2-[2-[[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]ethoxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide CAS Name: 2-[2-[2-[[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]ethoxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium hydroxide IUPAC Name: 2-[2-[2-[[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]ethoxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium hydroxide Traditional Name: 2-[2-[2-[[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]ethoxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide Formula: C38H74NO7P MolecularWeight: 687.970421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCCOCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C.[OH-]

Isomeric SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OCCOCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C.[OH-]

InChI

InChI=1S/C38H72NO6P.H2O/c1-10-30(28(2)3)12-11-29(4)34-15-16-35-33-14-13-31-27-32(17-19-37(31,5)36(33)18-20-38(34,35)6)43-25-23-42-24-26-45-46(40,41)44-22-21-39(7,8)9;/h28-36H,10-27H2,1-9H3;1H2