2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(5R)-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-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(5R)-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-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(4R)-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-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(5R)-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-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(5R)-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-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(4R)-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-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H65NO4P+ MolecularWeight: 582.857961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C

InChI

InChI=1S/C34H64NO4P/c1-10-26(24(2)3)12-11-25(4)30-15-16-31-29-14-13-27-23-28(39-40(36,37)38-22-21-35(7,8)9)17-19-33(27,5)32(29)18-20-34(30,31)6/h24-32H,10-23H2,1-9H3/p+1/t25?,26-,27+,28+,29+,30-,31+,32+,33+,34-/m1/s1