2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoyl]oxy-2-[(E)-octadec-10-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoyl]oxy-2-[(E)-octadec-10-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-17-[(1S)-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]oxy]-4-oxo-butanoyl]oxy-2-[(E)-octadec-10-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-1,4-dioxobutoxy]-2-[(E)-1-oxooctadec-10-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]oxy-2-[(E)-octadec-10-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-[4-[[(8R,9R,10S,13S,14R,17S)-17-[(1S)-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]oxy]-4-keto-butanoyl]oxy-2-[(E)-octadec-10-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C57H101NO10P+ MolecularWeight: 991.386301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)CCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCC/C=C/CCCCCCCCC(=O)OC(COC(=O)CCC(=O)OC1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CC[C@H]4[C@@H](C)CCCC(C)C)C)C)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C57H100NO10P/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-54(60)68-48(43-66-69(62,63)65-40-39-58(7,8)9)42-64-53(59)33-34-55(61)67-47-35-37-56(5)46(41-47)29-30-49-51-32-31-50(45(4)27-25-26-44(2)3)57(51,6)38-36-52(49)56/h16-17,29,44-45,47-52H,10-15,18-28,30-43H2,1-9H3/p+1/b17-16+/t45-,47?,48?,49+,50-,51+,52+,56+,57-/m0/s1