[4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methyl-heptan-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]-2-hexadecanoyloxy-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methyl-heptan-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]-2-hexadecanoyloxy-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-hexadecanoyloxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methylheptan-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]-4-oxo-2-(1-oxohexadecoxy)butyl]-trimethylammonium IUPAC Name: [4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methylheptan-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]-2-hexadecanoyloxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-[[(3S,8S,9S,10R,13R,14S,17R)-17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-hexadecanoyloxy-4-keto-butyl]-trimethyl-ammonium Formula: C52H94NO4+ MolecularWeight: 797.30706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C)C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(C)CCC(CC)C(C)C)C)C)C[N+](C)(C)C

InChI

InChI=1S/C52H94NO4/c1-11-13-14-15-16-17-18-19-20-21-22-23-24-25-49(54)57-44(38-53(8,9)10)37-50(55)56-43-32-34-51(6)42(36-43)28-29-45-47-31-30-46(52(47,7)35-33-48(45)51)40(5)26-27-41(12-2)39(3)4/h28,39-41,43-48H,11-27,29-38H2,1-10H3/q+1/t40?,41?,43-,44?,45-,46+,47-,48-,51-,52+/m0/s1