(2S,3R,4aR,10aS)-8-Ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-2,3,6-Phenanthrenetriol
[CAS# 24465-21-2]

Identification

• Name: (2S,3R,4aR,10aS)-8-Ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-2,3,6-Phenanthrenetriol
• Synonyms: (2S,3R,4Ar,10As)-1,1,4A,7-Tetramethyl-8-Vinyl-2,3,4,9,10,10A-Hexahydrophenanthrene-2,3,6-Triol; (-)-Cleistanthol; 2,3,6-Phenanthrenetriol, 8-Ethenyl-1,2,3,4,4A,9,10,10A-Octahydro-1,1,4A,7-Tetramethyl-, [2S-(2.Alpha.,3.Alpha.,4A.Alpha.,10A.Beta.)]-
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 24465-21-2
• SMILES: [C@@]23(C1=C(C(=C(C(=C1)O)C)C=C)CC[C@@H]2C(C)(C)[C@@H]([C@@H](C3)O)O)C
• InChI: 1S/C20H28O3/c1-6-12-11(2)15(21)9-14-13(12)7-8-17-19(3,4)18(23)16(22)10-20(14,17)5/h6,9,16-18,21-23H,1,7-8,10H2,2-5H3/t16-,17-,18-,20+/m1/s1
• InChIKey: RLJCBUKFIDXOQW-MLYOOKFZSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 474.523°C at 760 mmHg (Cal.)
• Flash point: 215.542°C (Cal.)