[2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxidanylidene-ethyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxidanylidene-ethyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxo-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl]oxy]-2-oxoethyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxoethyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[[(3R,4aR,5S,6S,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-keto-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H48NO12P MolecularWeight: 633.664681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C29H48NO12P/c1-11-26(5)16-20(33)29(35)27(6)19(32)12-13-25(3,4)23(27)22(24(40-18(2)31)28(29,7)42-26)41-21(34)17-39-43(36,37)38-15-14-30(8,9)10/h11,19,22-24,32,35H,1,12-17H2,2-10H3/t19-,22-,23?,24-,26-,27-,28+,29-/m0/s1