[3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanyl-propyl]-dimethyl-azanium chloride

Systemtic Name: [3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanyl-propyl]-dimethyl-azanium chloride Openeye Name: [3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl]oxy]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-[[(3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C25H44ClNO7 MolecularWeight: 506.07236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OCC(C[NH+](C)C)O)O)C)O)C.[Cl-]

Isomeric SMILES

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC(C3[C@@H]([C@@H]([C@]2(O1)C)OCC(C[NH+](C)C)O)O)(C)C)O)C)O)C=C.[Cl-]

InChI

InChI=1S/C25H43NO7.ClH/c1-9-22(4)12-17(29)25(31)23(5)16(28)10-11-21(2,3)19(23)18(30)20(24(25,6)33-22)32-14-15(27)13-26(7)8;/h9,15-16,18-20,27-28,30-31H,1,10-14H2,2-8H3;1H/t15?,16-,18-,19?,20-,22-,23-,24+,25-;/m0./s1