2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]butoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide

Systemtic Name: 2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]butoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium hydroxide Openeye Name: 2-[4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]butoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide CAS Name: 2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethoxy]butoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium hydroxide IUPAC Name: 2-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]butoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium hydroxide Traditional Name: 2-[4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]butoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium hydroxide Formula: C37H68NO8P MolecularWeight: 685.911481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H66NO7P.H2O/c1-27(2)12-11-13-28(3)32-16-17-33-31-15-14-29-26-30(18-20-36(29,4)34(31)19-21-37(32,33)5)45-35(39)42-23-9-10-24-43-46(40,41)44-25-22-38(6,7)8;/h14,27-28,30-34H,9-13,15-26H2,1-8H3;1H2