8-Hydroxy-5-oxoophiobola-3,6,19-trien-25-oic acid
[CAS# 18456-04-7]

Identification

• Name: 8-Hydroxy-5-oxoophiobola-3,6,19-trien-25-oic acid
• Molecular Formula: C₂₅H₃₆O₄
• Molecular Weight: 400.55
• CAS Registry Number: 18456-04-7
• SMILES: CC1=CC(=O)/C/2=C(/C(C[C@H]3[C@H](CC[C@@]3(C[C@H]12)C)[C@@H](C)CCC=C(C)C)O)\C(=O)O
• InChI: 1S/C25H36O4/c1-14(2)7-6-8-15(3)17-9-10-25(5)13-18-16(4)11-20(26)22(18)23(24(28)29)21(27)12-19(17)25/h7,11,15,17-19,21,27H,6,8-10,12-13H2,1-5H3,(H,28,29)/b23-22-/t15-,17+,18+,19-,21?,25+/m0/s1
• InChIKey: YNWCHERLWLNYDO-ZWQYIRPLSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 553.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 302.4±26.6°C (Cal.)
• Refractive index: 1.556 (Cal.)