(5E)-8-Ethyl-7,13-Dihydroxy-1-Methoxy-3,5,7,11-Tetramethyl-9,15-Dioxabicyclo[11.2.1]Hexadec-5-Ene-10,12-Dione
[CAS# 104169-53-1]

Identification

• Name: (5E)-8-Ethyl-7,13-Dihydroxy-1-Methoxy-3,5,7,11-Tetramethyl-9,15-Dioxabicyclo[11.2.1]Hexadec-5-Ene-10,12-Dione
• Synonyms: (5E)-8-Ethyl-7,13-Dihydroxy-1-Methoxy-3,5,7,11-Tetramethyl-9,15-Dioxabicyclo[11.2.1]Hexadec-5-Ene-10,12-Quinone; Erythronolide A, 10,11-Didehydro-6-Demethyl-9-Deoxo-3,5,11-Trideoxy-6,17-Epoxy-4-Hydroxy-6-O-Methyl-3-Oxo-; Neorustmicin B
• Molecular Formula: C₂₁H₃₄O₇
• Molecular Weight: 398.50
• CAS Registry Number: 104169-53-1
• SMILES: C(C2OC(=O)C(C(=O)C1(O)CC(OC1)(OC)CC(CC(=C/C2(O)C)/C)C)C)C
• InChI: 1S/C21H34O7/c1-7-16-19(5,24)9-13(2)8-14(3)10-21(26-6)11-20(25,12-27-21)17(22)15(4)18(23)28-16/h9,14-16,24-25H,7-8,10-12H2,1-6H3/b13-9+
• InChIKey: JLVZVGQWWZKQQV-UKTHLTGXSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 567.948°C at 760 mmHg (Cal.)
• Flash point: 191.959°C (Cal.)