Ketopelenolid-A
[CAS# 17909-92-1]

Identification

• Name: Ketopelenolid-A
• Synonyms: (3R,3As,6Z,10S,11Ar)-3,6,10-Trimethyl-3,3A,4,5,8,10,11,11A-Octahydrocyclodeca[D]Furan-2,9-Quinone; Cyclodeca(B)Furan-2,9(3H,4H)-Dione, 3A,5,8,10,11,11A-Hexahydro-3,6,10-Trimethyl-, (3R-(3R*,3As*,6E,10S*,11Ar*))-; Ketopelenolid-A
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34
• CAS Registry Number: 17909-92-1
• SMILES: [C@@H]12[C@H](OC(=O)[C@@H]1C)C[C@@H](C(=O)C/C=C(CC2)/C)C
• InChI: 1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,10-12,14H,4,6-8H2,1-3H3/b9-5-/t10-,11+,12-,14+/m0/s1
• InChIKey: KLZWSNKEPLKAOS-KBQMSFDJSA-N

Properties

• Density: 1.014g/cm³ (Cal.)
• Boiling point: 405.792°C at 760 mmHg (Cal.)
• Flash point: 179.683°C (Cal.)