(1R,4aR,5S,8aR)-5-[(E)-5-Methoxy-3-Methyl-5-Oxopent-3-Enyl]-1,4a-Dimethyl-6-Methylidene-3,4,5,7,8,8a-Hexahydro-2H-Naphthalene-1-Carboxylic Acid
[CAS# 139628-86-7]

Identification

• Name: (1R,4aR,5S,8aR)-5-[(E)-5-Methoxy-3-Methyl-5-Oxopent-3-Enyl]-1,4a-Dimethyl-6-Methylidene-3,4,5,7,8,8a-Hexahydro-2H-Naphthalene-1-Carboxylic Acid
• Synonyms: (1R,4Ar,5S,8Ar)-5-[(E)-5-Methoxy-3-Methyl-5-Oxo-Pent-3-Enyl]-1,4A-Dimethyl-6-Methylene-Decalin-1-Carboxylic Acid; (1R,4Ar,5S,8Ar)-5-[(E)-5-Methoxy-3-Methyl-5-Oxopent-3-Enyl]-1,4A-Dimethyl-6-Methylene-1-Decalincarboxylic Acid; (1R,4Ar,5S,8Ar)-5-[(E)-5-Keto-5-Methoxy-3-Methyl-Pent-3-Enyl]-1,4A-Dimethyl-6-Methylene-Decalin-1-Carboxylic Acid
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 139628-86-7
• SMILES: [C@]12([C@H]([C@@](C(=O)O)(C)CCC1)CCC([C@@H]2CC/C(=C/C(=O)OC)C)=C)C
• InChI: 1S/C21H32O4/c1-14(13-18(22)25-5)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(23)24/h13,16-17H,2,6-12H2,1,3-5H3,(H,23,24)/b14-13+/t16-,17+,20+,21+/m0/s1
• InChIKey: AKIRMBMADXTLAC-OFONLPRCSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 457.881°C at 760 mmHg (Cal.)
• Flash point: 150.945°C (Cal.)