Senfolomycin A
[CAS# 11017-36-0]

Identification

• Name: Senfolomycin A
• Synonyms: 5-[6-(Acetoxymethyl)-4-(5-Acetyl-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Dioxo-Cyclohexene-1-Carboxylic Acid; 5-[6-(Acetoxymethyl)-4-[(5-Acetyl-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3-Hydroxy-5-[(Z)-2-Isothiocyanato-1-Oxobut-2-Enoxy]-2-Tetrahydropyranyl]-2-Amino-5-Hydroxy-3,6-Dioxo-1-Cyclohexenecarboxylic Acid; 5-[6-(Acetoxymethyl)-4-(5-Acetyl-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-3-Hydroxy-5-[(Z)-2-Isothiocyanatobut-2-Enoyl]Oxy-Tetrahydropyran-2-Yl]-2-Amino-5-Hydroxy-3,6-Diketo-Cyclohexene-1-Carboxylic Acid
• Molecular Formula: C₂₉H₃₆N₂O₁₆S
• Molecular Weight: 700.67
• CAS Registry Number: 11017-36-0 (101411-69-2)
• SMILES: S=C=NC(/C(OC2C(OC1OC(C(O)(C(OC)C1)C(=O)C)C)C(O)C(OC2COC(=O)C)C3(O)C(=O)C(=C(N)C(=O)C3)C(=O)O)=O)=C\C
• InChI: 1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,35,40-41H,7-9,30H2,1-5H3,(H,37,38)/b14-6-
• InChIKey: ZIOGVGDMWOZVBR-NSIKDUERSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 878.913°C at 760 mmHg (Cal.)
• Flash point: 485.349°C (Cal.)