Methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-Acetyloxy-6alpha-(Benzoyloxymethyl)-2,2,6b,9,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylate
[CAS# 102637-01-4]

Identification

• Name: Methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-Acetyloxy-6alpha-(Benzoyloxymethyl)-2,2,6b,9,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylate
• Synonyms: Methyl (4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-Acetoxy-6A-(Benzoyloxymethyl)-2,2,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-Acetoxy-2,2,6B,9,9,12A-Hexamethyl-6A-[(Oxo-Phenylmethoxy)Methyl]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid Methyl Ester; (4As,6Ar,6Ar,6Br,8Ar,10S,12Ar,14Bs)-10-Acetoxy-6A-(Benzoyloxymethyl)-2,2,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₀H₅₆O₆
• Molecular Weight: 632.88
• CAS Registry Number: 102637-01-4
• SMILES: [C@@]23([C@@H]([C@@]1([C@H](C([C@@H](OC(=O)C)CC1)(C)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(OC)=O)COC(=O)C6=CC=CC=C6)C
• InChI: 1S/C40H56O6/c1-26(41)46-32-17-18-37(6)30(36(32,4)5)16-19-38(7)31(37)15-14-28-29-24-35(2,3)20-21-39(29,34(43)44-8)22-23-40(28,38)25-45-33(42)27-12-10-9-11-13-27/h9-14,29-32H,15-25H2,1-8H3/t29-,30-,31+,32-,37-,38+,39-,40-/m0/s1
• InChIKey: ZPQZGHAQCJAOQE-YHMSRXDCSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 647.443°C at 760 mmHg (Cal.)
• Flash point: 261.451°C (Cal.)