(4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate

Systemtic Name: (4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate Openeye Name: (4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate CAS Name: (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid (4-bromobenzyl) ester Formula: C39H55BrO4 MolecularWeight: 667.7556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C(=O)OCC6=CC=C(C=C6)Br)C)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C(=O)OCC6=CC=C(C=C6)Br)(C)C)C)C

InChI

InChI=1S/C39H55BrO4/c1-25(41)44-32-16-19-36(6)28(35(32,4)5)13-17-37(7)29(36)14-18-38(8)30(37)15-20-39(22-21-34(2,3)23-31(38)39)33(42)43-24-26-9-11-27(40)12-10-26/h9-12,15,28-29,31-32H,13-14,16-24H2,1-8H3/t28-,29+,31-,32-,36-,37+,38+,39+/m0/s1