4-Bromobenzyl 3-Acetylmaprounate
[CAS# 123887-66-1]

Identification

• Name: 4-Bromobenzyl 3-Acetylmaprounate
• Synonyms: (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; (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-Bromophenyl)Methyl Ester; (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
• Molecular Formula: C₃₉H₅₅BrO₄
• Molecular Weight: 667.77
• CAS Registry Number: 123887-66-1
• SMILES: [C@@H]1(CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(OCC6=CC=C(C=C6)Br)=O)C)C)C)OC(=O)C
• 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
• InChIKey: YXYOERKDOLFSLL-FQMFXQSHSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 646.687°C at 760 mmHg (Cal.)
• Flash point: 344.904°C (Cal.)