2-[2-[[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide

Systemtic Name: 2-[2-[[17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide Openeye Name: 2-[2-[[17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide CAS Name: 2-[2-[[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium hydroxide IUPAC Name: 2-[2-[[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium hydroxide Traditional Name: 2-[2-[[17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide Formula: C36H66NO6P MolecularWeight: 639.886101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C.[OH-]

Isomeric SMILES

CCC(/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C.[OH-]

InChI

InChI=1S/C36H64NO5P.H2O/c1-10-28(26(2)3)12-11-27(4)32-15-16-33-31-14-13-29-25-30(17-19-35(29,5)34(31)18-20-36(32,33)6)40-23-24-42-43(38,39)41-22-21-37(7,8)9;/h11-13,26-28,30-34H,10,14-25H2,1-9H3;1H2/b12-11+;