Tetraneurin E
[CAS# 25383-30-6]

Identification

• Name: Tetraneurin E
• Synonyms: [(3As,6R,6Ar,9S,9As,9Br)-6A-Hydroxy-6-(Hydroxymethyl)-9A-Methyl-3-Methylene-2-Oxo-3A,4,5,6,7,8,9,9B-Octahydroazuleno[8,7-B]Furan-9-Yl] Acetate; Acetic Acid [(3As,6R,6Ar,9S,9As,9Br)-6A-Hydroxy-6-(Hydroxymethyl)-9A-Methyl-3-Methylene-2-Oxo-3A,4,5,6,7,8,9,9B-Octahydroazuleno[8,7-B]Furan-9-Yl] Ester; Acetic Acid [(3As,6R,6Ar,9S,9As,9Br)-6A-Hydroxy-2-Keto-9A-Methyl-3-Methylene-6-Methylol-3A,4,5,6,7,8,9,9B-Octahydroazuleno[7,8-D]Furan-9-Yl] Ester
• Molecular Formula: C₁₇H₂₄O₆
• Molecular Weight: 324.37
• CAS Registry Number: 25383-30-6
• SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@]2(CC[C@@H]3OC(=O)C)O)CO)=C)C
• InChI: 1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1
• InChIKey: CLPRBVIHHFLWQY-SGXNCSQFSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 495.546°C at 760 mmHg (Cal.)
• Flash point: 178.431°C (Cal.)