Methyl (1R,4aR,5S,8R,8aR)-8-Benzoyloxy-5-(3-Formylbut-3-Enyl)-4a-Methyl-6-Methylidene-Decalin-1-Carboxylate
[CAS# 116425-28-6]

Identification

• Name: Methyl (1R,4aR,5S,8R,8aR)-8-Benzoyloxy-5-(3-Formylbut-3-Enyl)-4a-Methyl-6-Methylidene-Decalin-1-Carboxylate
• Synonyms: Methyl (1R,4Ar,5R,8R,8Ar)-8-(Benzoyloxy)-5-(3-Formylbut-3-Enyl)-4A-Methyl-6-Methylene-Decalin-1-Carboxylate; (1R,4Ar,5R,8R,8Ar)-5-(3-Formylbut-3-Enyl)-4A-Methyl-6-Methylene-8-(Oxo-Phenylmethoxy)-1-Decalincarboxylic Acid Methyl Ester; (1R,4Ar,5R,8R,8Ar)-8-(Benzoyloxy)-5-(3-Formylbut-3-Enyl)-4A-Methyl-6-Methylene-Decalin-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₆H₃₂O₅
• Molecular Weight: 424.54
• CAS Registry Number: 116425-28-6
• SMILES: [C@H]1(CCC[C@@]2([C@@H](C(C[C@H]([C@H]12)OC(C3=CC=CC=C3)=O)=C)CCC(=C)C=O)C)C(=O)OC
• InChI: 1S/C26H32O5/c1-17(16-27)12-13-21-18(2)15-22(31-24(28)19-9-6-5-7-10-19)23-20(25(29)30-4)11-8-14-26(21,23)3/h5-7,9-10,16,20-23H,1-2,8,11-15H2,3-4H3/t20-,21-,22-,23+,26-/m1/s1
• InChIKey: NGHSDDKIMCCYAA-FWJYYSRWSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 527.796°C at 760 mmHg (Cal.)
• Flash point: 225.01°C (Cal.)