(2S)-2-Amino-N-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-Propanamide
[CAS# 24397-89-5]

Identification

• Name: (2S)-2-Amino-N-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-Propanamide
• Synonyms: 2-Amino-N-(1,5,6-Trihydroxy-8-Keto-3-Methyl-3,4,4A,5,6,7-Hexahydroisochromen-4-Yl)Propionamide; Sulfuric Acid; Actinobolin Sulfate; Propanamide, 2-Amino-N-(3,4,4A,5,6,7-Hexahydro-5,6,8-Trihydroxy-3-Methyl-1-Oxo-1H-2-Benzopyran-4-Yl)-, Sulfate (Salt)
• Molecular Formula: C₁₃H₂₂N₂O₁₀S
• Molecular Weight: 398.38
• CAS Registry Number: 24397-89-5
• SMILES: O=[S](O)(O)=O.CC1OC(=C2C(C1NC(=O)C(N)C)C(O)C(O)CC2=O)O
• InChI: 1S/C13H20N2O6.H2O4S/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10;1-5(2,3)4/h4-5,7,9-11,17-18,20H,3,14H2,1-2H3,(H,15,19);(H2,1,2,3,4)
• InChIKey: XHDFRWRXBXLISD-UHFFFAOYSA-N

Properties

• Boiling point: 592°C at 760 mmHg (Cal.)
• Flash point: 311.9°C (Cal.)