Deacetoxycephalosporin C
[CAS# 26924-74-3]

Identification

• Name: Deacetoxycephalosporin C
• Synonyms: (6R,7R)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(5R)-5-Amino-6-Hydroxy-1,6-Dioxohexyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-[[(5R)-5-Amino-6-Hydroxy-6-Keto-Hexanoyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₉N₃O₆S
• Molecular Weight: 357.38
• CAS Registry Number: 26924-74-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O)C
• InChI: 1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1
• InChIKey: NNQIJOYQWYKBOW-JWKOBGCHSA-N

Properties

• Density: 1.545g/cm³ (Cal.)
• Boiling point: 786.288°C at 760 mmHg (Cal.)
• Flash point: 429.332°C (Cal.)