Buddledin A
[CAS# 62346-20-7]

Identification

• Name: Buddledin A
• Synonyms: [(1R,2R,4E,9S)-4,11,11-Trimethyl-8-Methylene-3-Oxo-2-Bicyclo[7.2.0]Undec-4-Enyl] Acetate; Acetic Acid [(1R,2R,4E,9S)-4,11,11-Trimethyl-8-Methylene-3-Oxo-2-Bicyclo[7.2.0]Undec-4-Enyl] Ester; Acetic Acid [(1R,2R,4E,9S)-3-Keto-4,11,11-Trimethyl-8-Methylene-2-Bicyclo[7.2.0]Undec-4-Enyl] Ester
• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.37
• CAS Registry Number: 62346-20-7
• SMILES: [C@@H]12[C@H](C(C(=C/CCC([C@H]1CC2(C)C)=C)/C)=O)OC(=O)C
• InChI: 1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1
• InChIKey: SXWKLEULMBLXJM-PCRFWOPQSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 373.233°C at 760 mmHg (Cal.)
• Flash point: 161.333°C (Cal.)