Actinobolin Sulfate
[CAS# 18802-17-0]

Identification

• Name: Actinobolin Sulfate
• Synonyms: (2S)-2-Amino-N-[(3R,4R,4Ar,5R,6R)-1,5,6-Trihydroxy-8-Keto-3-Methyl-3,4,4A,5,6,7-Hexahydroisochromen-4-Yl]Propionamide; Sulfuric Acid; Propanamide, 2-Amino-N-(3,4,4A,5,6,7-Hexahydro-5,6,8-Trihydroxy-3-Methyl-1-Oxo-1H-2-Benzopyran-4-Yl)-, (3R-(3-Alpha,4-Alpha(S*),4A-Beta,5-Beta,6-Alpha))-, Sulfate (2:1) (Salt)
• Molecular Formula: C₂₆H₄₂N₄O₁₆S
• Molecular Weight: 698.70
• CAS Registry Number: 18802-17-0
• SMILES: [C@H]12[C@@H](NC(=O)[C@@H](N)C)[C@H](OC(=C1C(=O)C[C@@H](O)[C@@H]2O)O)C.[C@H]34[C@@H](NC(=O)[C@@H](N)C)[C@H](OC(=C3C(=O)C[C@@H](O)[C@@H]4O)O)C.O=[S](O)(O)=O
• InChI: 1S/2C13H20N2O6.H2O4S/c2*1-4(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/h2*4-5,7,9-11,17-18,20H,3,14H2,1-2H3,(H,15,19);(H2,1,2,3,4)/t2*4-,5+,7+,9+,10-,11-;/m00./s1
• InChIKey: MSAQWXBOJSBDAX-LWTNDNBJSA-N

Properties

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