2,3-Epoxy-1,1,4,12-Tetramethylperhydro-7,8alpha-Ethanobenz[f]Azulene-4,9,10,10a,12-Pentol
[CAS# 28894-74-8]

Identification

• Name: 2,3-Epoxy-1,1,4,12-Tetramethylperhydro-7,8alpha-Ethanobenz[f]Azulene-4,9,10,10a,12-Pentol
• Synonyms: 7,9A-Alpha-Methano-9Ah-Cyclopenta(B)Heptalene-4,8,10,11,11A-Beta,(1H)-Pentol, 2-Beta,3-Beta-Epoxy-2,3,3A-Beta,4,4A-Beta,5,6,7-Beta,8,9,10-Beta,11-Alpha-Dodecahydro-1,1,4-Beta,8-Beta-Tetramethyl-; Deacetyllyoniatoxin
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 28894-74-8
• SMILES: [C@H]13[C@@](O)(C([C@H]2O[C@@H]12)(C)C)[C@H](O)[C@@H](O)C45[C@H]([C@]3(O)C)CC[C@@H](C4)[C@](O)(C5)C
• InChI: 1S/C20H32O6/c1-16(2)15-11(26-15)12-18(4,24)10-6-5-9-7-19(10,8-17(9,3)23)13(21)14(22)20(12,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,14+,15-,17+,18+,19?,20-/m0/s1
• InChIKey: PEPXNJLMNKYXFN-SUYOHCKESA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 535.793°C at 760 mmHg (Cal.)
• Flash point: 277.838°C (Cal.)