(4aR,5S,6R,8aR)-5-[(Z)-5-Hydroxy-3-Methyl-5-Oxopent-3-Enyl]-5,6,8a-Trimethyl-3,4,4a,6,7,8-Hexahydronaphthalene-1-Carboxylic Acid
[CAS# 146985-82-2]

Identification

• Name: (4aR,5S,6R,8aR)-5-[(Z)-5-Hydroxy-3-Methyl-5-Oxopent-3-Enyl]-5,6,8a-Trimethyl-3,4,4a,6,7,8-Hexahydronaphthalene-1-Carboxylic Acid
• Synonyms: (4Ar,5S,6R,8Ar)-5-[(Z)-5-Hydroxy-3-Methyl-5-Oxo-Pent-3-Enyl]-5,6,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalene-1-Carboxylic Acid; (4Ar,5S,6R,8Ar)-5-[(Z)-5-Hydroxy-5-Keto-3-Methyl-Pent-3-Enyl]-5,6,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalene-1-Carboxylic Acid
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 146985-82-2
• SMILES: [C@@H]12[C@](C(=CCC1)C(=O)O)(CC[C@H]([C@@]2(CC\C(=C/C(=O)O)C)C)C)C
• InChI: 1S/C20H30O4/c1-13(12-17(21)22)8-10-19(3)14(2)9-11-20(4)15(18(23)24)6-5-7-16(19)20/h6,12,14,16H,5,7-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12-/t14-,16-,19+,20+/m1/s1
• InChIKey: FMWSHZRIJXQMOO-RUJIAIRVSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 495.054°C at 760 mmHg (Cal.)
• Flash point: 267.297°C (Cal.)