2-[[3-[[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]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide

Systemtic Name: 2-[[3-[[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]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide Openeye Name: 2-[[3-[[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]-3-oxo-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide CAS Name: 2-[[3-[[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]-3-oxopropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium hydroxide IUPAC Name: 2-[[3-[[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]-3-oxopropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium hydroxide Traditional Name: 2-[[3-[[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]-3-keto-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide Formula: C37H70NO7P MolecularWeight: 671.927961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO6P.H2O/c1-10-28(26(2)3)12-11-27(4)32-15-16-33-31-14-13-29-25-30(17-20-36(29,5)34(31)18-21-37(32,33)6)44-35(39)19-23-42-45(40,41)43-24-22-38(7,8)9;/h26-34H,10-25H2,1-9H3;1H2