(4S,4aR,5S,8R,8aS)-4-Decanoyloxy-5-Methyl-7-Oxo-8-(3-Oxoprop-1-En-2-Yl)-4,4a,5,6,8,8a-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
[CAS# 154381-70-1]

Identification

• Name: (4S,4aR,5S,8R,8aS)-4-Decanoyloxy-5-Methyl-7-Oxo-8-(3-Oxoprop-1-En-2-Yl)-4,4a,5,6,8,8a-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
• Synonyms: (4S,4Ar,5S,8R,8As)-4-Decanoyloxy-8-(1-Formylvinyl)-5-Methyl-7-Oxo-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid; (4S,4Ar,5S,8R,8As)-8-(1-Formylvinyl)-5-Methyl-7-Oxo-4-(1-Oxodecoxy)-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid; (4S,4Ar,5S,8R,8As)-4-Capryloxy-8-(1-Formylvinyl)-7-Keto-5-Methyl-4,4A,5,6,8,8A-Hexahydro-3H-Naphthalene-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₆O₆
• Molecular Weight: 432.56
• CAS Registry Number: 154381-70-1
• SMILES: [C@H]12[C@@H]([C@@H](C(=O)C[C@@H]1C)C(C=O)=C)C=C(C[C@@H]2OC(=O)CCCCCCCCC)C(=O)O
• InChI: 1S/C25H36O6/c1-4-5-6-7-8-9-10-11-22(28)31-21-14-18(25(29)30)13-19-23(17(3)15-26)20(27)12-16(2)24(19)21/h13,15-16,19,21,23-24H,3-12,14H2,1-2H3,(H,29,30)/t16-,19+,21-,23-,24+/m0/s1
• InChIKey: VCPVUAOJECJROT-LDSRHLQJSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 591.21°C at 760 mmHg (Cal.)
• Flash point: 193.657°C (Cal.)