11-Monoketofusidic Acid
[CAS# 16711-91-4]

Identification

• Name: 11-Monoketofusidic Acid
• Synonyms: (2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-Hydroxy-4,10,14-Trimethyl-11-Oxo-16-Propanoyloxy-2,3,4,5,6,7,8,9,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid; (2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-Hydroxy-4,10,14-Trimethyl-11-Oxo-16-(1-Oxopropoxy)-2,3,4,5,6,7,8,9,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methylhept-5-Enoic Acid; (2Z)-2-[(3R,4S,8S,9R,10S,13R,14R,16S)-3-Hydroxy-11-Keto-4,10,14-Trimethyl-16-Propionyloxy-2,3,4,5,6,7,8,9,12,13,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid
• Molecular Formula: C₃₁H₄₆O₆
• Molecular Weight: 514.70
• CAS Registry Number: 16711-91-4
• SMILES: [C@@H]23[C@@]1([C@H](\C([C@@H](OC(=O)CC)C1)=C(C(=O)O)/CCC=C(C)C)CC(=O)[C@H]2[C@@]4(C(CC3)[C@@H]([C@H](O)CC4)C)C)C
• InChI: 1S/C31H46O6/c1-7-26(34)37-25-16-31(6)21-12-11-20-18(4)23(32)13-14-30(20,5)28(21)24(33)15-22(31)27(25)19(29(35)36)10-8-9-17(2)3/h9,18,20-23,25,28,32H,7-8,10-16H2,1-6H3,(H,35,36)/b27-19-/t18-,20?,21-,22-,23+,25-,28-,30-,31+/m0/s1
• InChIKey: ISLLRJYHCSQDTN-LFPDIBHUSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 644.926°C at 760 mmHg (Cal.)
• Flash point: 202.013°C (Cal.)