3'-Hydroxycephamycin B
[CAS# 56083-50-2]

Identification

• Name: 3'-Hydroxycephamycin B
• Synonyms: (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-3-[[(Z)-3-(3,4-Dihydroxyphenyl)-2-Methoxy-Prop-2-Enoyl]Oxymethyl]-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-1,6-Dioxohexyl]Amino]-3-[[(Z)-3-(3,4-Dihydroxyphenyl)-2-Methoxy-1-Oxoprop-2-Enoxy]Methyl]-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-7-[[(5R)-5-Amino-6-Hydroxy-6-Keto-Hexanoyl]Amino]-3-[[(Z)-3-(3,4-Dihydroxyphenyl)-2-Methoxy-Acryloyl]Oxymethyl]-8-Keto-7-Methoxy-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₅H₂₉N₃O₁₂S
• Molecular Weight: 595.58
• CAS Registry Number: 56083-50-2
• 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(OC)=C\C3=CC=C(O)C(=C3)O
• InChI: 1S/C25H29N3O12S/c1-38-17(9-12-6-7-15(29)16(30)8-12)22(36)40-10-13-11-41-24-25(39-2,23(37)28(24)19(13)21(34)35)27-18(31)5-3-4-14(26)20(32)33/h6-9,14,24,29-30H,3-5,10-11,26H2,1-2H3,(H,27,31)(H,32,33)(H,34,35)/b17-9-/t14-,24-,25+/m1/s1
• InChIKey: NJZVVAVNQYLLCW-AATDYCFQSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 974.101°C at 760 mmHg (Cal.)
• Flash point: 542.917°C (Cal.)