(3S,4R,4aS,8aS)-4-(2-Furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
[CAS# 18676-07-8]

Identification

• Name: (3S,4R,4aS,8aS)-4-(2-Furan-3-ylethyl)-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
• Synonyms: (3S,4R,4As,8As)-4-[2-(3-Furyl)Ethyl]-4-Hydroxy-3,4A,8,8-Tetramethyl-Decalin-2-One; (3S,4R,4As,8As)-4-[2-(3-Furyl)Ethyl]-4-Hydroxy-3,4A,8,8-Tetramethyl-2-Decalinone; Nsc332876
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.46
• CAS Registry Number: 18676-07-8
• SMILES: [C@@]2([C@@]1([C@H](C(C)(C)CCC1)CC([C@H]2C)=O)C)(CCC3=COC=C3)O
• InChI: 1S/C20H30O3/c1-14-16(21)12-17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3/t14-,17+,19+,20-/m1/s1
• InChIKey: UVKYPKNCQJIGKV-PEFDPPPMSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 417.195°C at 760 mmHg (Cal.)
• Flash point: 206.112°C (Cal.)