7-Methoxycephalosporin C
[CAS# 41849-38-1]

Identification

• Name: 7-Methoxycephalosporin C
• Synonyms: (6R,7S)-3-(Acetoxymethyl)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-3-(Acetoxymethyl)-7-[[(5R)-5-Amino-6-Hydroxy-1,6-Dioxohexyl]Amino]-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-3-(Acetoxymethyl)-7-[[(5R)-5-Amino-6-Hydroxy-6-Keto-Hexanoyl]Amino]-8-Keto-7-Methoxy-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₃N₃O₉S
• Molecular Weight: 445.44
• CAS Registry Number: 41849-38-1
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@@]2(OC)NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O)COC(=O)C
• InChI: 1S/C17H23N3O9S/c1-8(21)29-6-9-7-30-16-17(28-2,15(27)20(16)12(9)14(25)26)19-11(22)5-3-4-10(18)13(23)24/h10,16H,3-7,18H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/t10-,16-,17+/m1/s1
• InChIKey: ORQHMODRGXTBFU-LWNYNHHKSA-N

Properties

• Density: 1.544g/cm³ (Cal.)
• Boiling point: 809.508°C at 760 mmHg (Cal.)
• Flash point: 443.375°C (Cal.)