(1'R-(1'alpha,4'aalpha,6'abeta,7'alpha,9'aS*))-4',4'a,6'a,7'-Tetrahydro-7',8'-Dimethyl-2'-Oxo-Spiro(Oxirane-2,1'(2H)-Pentaleno(1,6a-c)Pyran)-5'-Carboxylic Acid
[CAS# 31501-48-1]

Identification

• Name: (1'R-(1'alpha,4'aalpha,6'abeta,7'alpha,9'aS*))-4',4'a,6'a,7'-Tetrahydro-7',8'-Dimethyl-2'-Oxo-Spiro(Oxirane-2,1'(2H)-Pentaleno(1,6a-c)Pyran)-5'-Carboxylic Acid
• Synonyms: Antibiotic Pa-132; Arenaemycin E; Arenemycine
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.29
• CAS Registry Number: 31501-48-1
• SMILES: [C@]234[C@]1(OC1)C(OC[C@H]2C(=C[C@@H]3[C@H](C(=C4)C)C)C(=O)O)=O
• InChI: 1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10+,11-,14+,15+/m0/s1
• InChIKey: NUPNVWUYFVEAIT-ULEBWITMSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 529.361°C at 760 mmHg (Cal.)
• Flash point: 204.737°C (Cal.)