Botrydial
[CAS# 54986-75-3]

Identification

• Name: Botrydial
• Synonyms: Acetic Acid [(1S,3Ar,4S,6R,7S,7As)-1,7-Diformyl-7A-Hydroxy-1,3,3,6-Tetramethyl-2,3A,4,5,6,7-Hexahydroinden-4-Yl] Ester; [(1S,3Ar,4S,6R,7S,7As)-7A-Hydroxy-1,7-Dimethanoyl-1,3,3,6-Tetramethyl-2,3A,4,5,6,7-Hexahydroinden-4-Yl] Ethanoate; Botrydial
• Molecular Formula: C₁₇H₂₆O₅
• Molecular Weight: 310.39
• CAS Registry Number: 54986-75-3
• SMILES: [C@]12([C@](CC([C@@H]1[C@@H](OC(=O)C)C[C@H]([C@@H]2C=O)C)(C)C)(C=O)C)O
• InChI: 1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1
• InChIKey: SJFIYVCSGNWVPJ-GKKOWQTJSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 397.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 134.7±21.4°C (Cal.)