(1S-(1alpha,3beta,4abeta,10abeta))-3,4,5,10-Tetrahydro-5,10-Dioxo-9-Hydroxy-1-Methyl-4a,10a-Epoxy-1H-Naphtho(2,3-c)Pyran-3-Acetic Acid
[CAS# 72660-52-7]

Identification

• Name: (1S-(1alpha,3beta,4abeta,10abeta))-3,4,5,10-Tetrahydro-5,10-Dioxo-9-Hydroxy-1-Methyl-4a,10a-Epoxy-1H-Naphtho(2,3-c)Pyran-3-Acetic Acid
• Synonyms: 4A,10A-Epoxy-1H-Naphtho(2,3-C)Pyran-3-Acetic Acid, 3,4,5,10-Tetrahydro-9-Hydroxy-1-Methyl-5,10-Dioxo-, (1S-(1Alpha,3Beta,4Abeta,10Abeta))-; Nanaomycin E
• Molecular Formula: C₁₆H₁₄O₇
• Molecular Weight: 318.28
• CAS Registry Number: 72660-52-7
• SMILES: [C@@]234[C@@](C(=O)C1=CC=CC(=C1C2=O)O)(C[C@@H](O[C@H]3C)CC(=O)O)O4
• InChI: 1S/C16H14O7/c1-7-16-14(21)12-9(3-2-4-10(12)17)13(20)15(16,23-16)6-8(22-7)5-11(18)19/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8-,15-,16+/m0/s1
• InChIKey: SVGOJJZXRJJDLY-IUFZWFJJSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 660.344°C at 760 mmHg (Cal.)
• Flash point: 251.947°C (Cal.)