(4-bromophenyl)methyl-[[(1R,2S,3S,4R)-4-(2-chloranylethanoylcarbamoyloxy)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl]-methyl-sulfanium bromide

Systemtic Name: (4-bromophenyl)methyl-[[(1R,2S,3S,4R)-4-(2-chloranylethanoylcarbamoyloxy)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl]-methyl-sulfanium bromide Openeye Name: (4-bromophenyl)methyl-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium bromide CAS Name: (4-bromophenyl)methyl-[[(1R,2S,3S,4R)-4-[[(2-chloro-1-oxoethyl)amino]-oxomethoxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl]-methylsulfonium bromide IUPAC Name: (4-bromophenyl)methyl-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methylsulfanium bromide Traditional Name: (4-bromobenzyl)-[[(1R,2S,3S,4R)-4-[(2-chloroacetyl)carbamoyloxy]-1-hydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium bromide Formula: C27H38Br2ClNO6S MolecularWeight: 699.91972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)CC3=CC=C(C=C3)Br)O)OC(=O)NC(=O)CCl)OC)C.[Br-]

Isomeric SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C[S+](C)CC3=CC=C(C=C3)Br)O)OC(=O)NC(=O)CCl)OC)C.[Br-]

InChI

InChI=1S/C27H37BrClNO6S.BrH/c1-17(2)6-11-21-26(3,36-21)24-23(34-4)20(35-25(32)30-22(31)14-29)12-13-27(24,33)16-37(5)15-18-7-9-19(28)10-8-18;/h6-10,20-21,23-24,33H,11-16H2,1-5H3;1H/t20-,21-,23-,24-,26+,27+,37?;/m1./s1