2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-3,4a,7,7,10a-pentamethyl-6-oxidanyl-1-oxidanylidene-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl]oxy]-2-acetyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-3,4a,7,7,10a-pentamethyl-6-oxidanyl-1-oxidanylidene-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl]oxy]-2-acetyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl]oxy]-2-acetoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f][1]benzopyran-5-yl]oxy]-2-acetyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl]oxy]-2-acetyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-[[(3S,4aS,5S,6S,10aS)-3-ethyl-6-hydroxy-1-keto-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl]oxy]-2-acetoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H55NO10P+ MolecularWeight: 620.732161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C2C3(CCCC(C3C(C(C2(O1)C)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C)O)(C)C)C)C

Isomeric SMILES

CC[C@]1(CC(=O)C2[C@]3(CCCC(C3[C@@H]([C@@H]([C@]2(O1)C)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C)O)(C)C)C)C

InChI

InChI=1S/C30H54NO10P/c1-11-28(5)17-22(33)24-29(6)14-12-13-27(3,4)25(29)23(34)26(30(24,7)41-28)37-18-21(40-20(2)32)19-39-42(35,36)38-16-15-31(8,9)10/h21,23-26,34H,11-19H2,1-10H3/p+1/t21?,23-,24?,25?,26-,28-,29+,30-/m0/s1