(3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-5-(2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy)-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one chloride

Systemtic Name: (3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-5-(2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy)-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one chloride Openeye Name: (3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-trihydroxy-5-(2-hydroxy-3-piperidin-1-ium-1-yl-propoxy)-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one chloride CAS Name: (3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-5-[2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-1-one chloride IUPAC Name: (3R,4aR,5S,6S,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-5-(2-hydroxy-3-piperidin-1-ium-1-ylpropoxy)-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one chloride Traditional Name: (3R,4aR,5S,6S,10S,10aR,10bS)-6,10,10b-trihydroxy-5-(2-hydroxy-3-piperidin-1-ium-1-yl-propoxy)-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one chloride Formula: C28H48ClNO7 MolecularWeight: 546.13622

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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+]4CCCCC4)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+]4CCCCC4)O)O)(C)C)O)C)O)C=C.[Cl-]

InChI

InChI=1S/C28H47NO7.ClH/c1-7-25(4)15-20(32)28(34)26(5)19(31)11-12-24(2,3)22(26)21(33)23(27(28,6)36-25)35-17-18(30)16-29-13-9-8-10-14-29;/h7,18-19,21-23,30-31,33-34H,1,8-17H2,2-6H3;1H/t18?,19-,21-,22?,23-,25-,26-,27+,28-;/m0./s1