(2R,3S,6S,7Z)-7-Ethylidene-3,6-Dihydroxy-2-Propyl-11-Oxabicyclo[7.3.0]Dodec-1(9)-Ene-4,10,12-Trione
[CAS# 123068-35-9]

Identification

• Name: (2R,3S,6S,7Z)-7-Ethylidene-3,6-Dihydroxy-2-Propyl-11-Oxabicyclo[7.3.0]Dodec-1(9)-Ene-4,10,12-Trione
• Synonyms: 14-Dihydroxycornestin; C08483; Cornexistin
• Molecular Formula: C₁₆H₂₀O₆
• Molecular Weight: 308.33
• CAS Registry Number: 123068-35-9
• SMILES: [C@@H]1([C@H](O)C(=O)C[C@H](O)\C(CC2=C1C(OC2=O)=O)=C/C)CCC
• InChI: 1S/C16H20O6/c1-3-5-9-13-10(15(20)22-16(13)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3/b8-4-/t9-,11+,14+/m1/s1
• InChIKey: ILMHTGUGRLGMCR-LRIVTRFWSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 552.8°C at 760 mmHg (Cal.)
• Flash point: 204.817°C (Cal.)