(3R,6S,8S,10R,13R,14S)-6,14-Dihydroxy-5,5,14-Trimethyl-9-Methylenetetracyclo[11.2.1.0^1,10.0^3,8]Hexadecan-4-One
[CAS# 39012-11-8]

Identification

• Name: (3R,6S,8S,10R,13R,14S)-6,14-Dihydroxy-5,5,14-Trimethyl-9-Methylenetetracyclo[11.2.1.0^1,10.0^3,8]Hexadecan-4-One
• Synonyms: 5a,8-Methano-5aH-cyclohepta(b)naphthalen-4(1H)-one, dodecahydro-2,7-dihydroxy-3,3,7-trimethyl-11-methylene-, (2S-(2α,4aβ,5aβ,7β,8β,10aα,11aα))-; Leucothol A
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.45
• CAS Registry Number: 39012-11-8
• SMILES: O=C1C(C)(C)[C@@H](O)C[C@@H]2C(=C)/[C@@H]4CC[C@@H]3CC4(C[C@@H]12)C[C@@]3(O)C
• InChI: 1S/C20H30O3/c1-11-13-7-16(21)18(2,3)17(22)14(13)9-20-8-12(5-6-15(11)20)19(4,23)10-20/h12-16,21,23H,1,5-10H2,2-4H3/t12-,13-,14-,15+,16+,19+,20?/m1/s1
• InChIKey: PPCGOUZKOFOMBR-RNAXHOLBSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 465.692°C at 760 mmHg (Cal.)
• Flash point: 249.56°C (Cal.)