2-{[(1S,4aS,8aR)-1,2,4a-Trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzenediol
[CAS# 87764-13-4]

Identification

• Name: 2-{[(1S,4aS,8aR)-1,2,4a-Trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,4-benzenediol
• Synonyms: arenarol; NSC613793
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.46
• CAS Registry Number: 87764-13-4
• SMILES: Oc1cc(c(O)cc1)C[C@@]3([C@H]2CCC/C(=C)[C@]2(CCC3C)C)C
• InChI: 1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15?,19-,20+,21-/m0/s1
• InChIKey: FBMAHDGTCDISLJ-WMKHZRKJSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 450.055°C at 760 mmHg (Cal.)
• Flash point: 200.301°C (Cal.)