(3Z,5R,6Z,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-Tetramethyl-1-Oxacyclotetradeca-3,6,9-Trien-2-One
[CAS# 11033-23-1]

Identification

• Name: (3Z,5R,6Z,8S,9Z,13S,14R)-5,8-Dihydroxy-5,9,13,14-Tetramethyl-1-Oxacyclotetradeca-3,6,9-Trien-2-One
• Synonyms: Cineromycin B
• Molecular Formula: C₁₇H₂₆O₄
• Molecular Weight: 294.39
• CAS Registry Number: 11033-23-1
• SMILES: [C@@]/1(O)(\C=C/C(O[C@@H]([C@H](CC\C=C(/[C@@H](O)/C=C1)C)C)C)=O)C
• InChI: 1S/C17H26O4/c1-12-6-5-7-13(2)15(18)8-10-17(4,20)11-9-16(19)21-14(12)3/h7-12,14-15,18,20H,5-6H2,1-4H3/b10-8-,11-9-,13-7-/t12-,14+,15-,17+/m0/s1
• InChIKey: RLNOIXQIRICASI-HTNMZXOESA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 487.316°C at 760 mmHg (Cal.)
• Flash point: 173.64°C (Cal.)