(1.alpha.,3.beta.,4.beta.,9R*)-6-Amino- 3,4,5,8-Tetrahydro-4,9-Dihydroxy-3-Methyl-5,8-Dioxo-1,4-Ethano-1H-2-Benzopyran-7-Carboxamide
[CAS# 75533-14-1]

Identification

• Name: (1.alpha.,3.beta.,4.beta.,9R*)-6-Amino- 3,4,5,8-Tetrahydro-4,9-Dihydroxy-3-Methyl-5,8-Dioxo-1,4-Ethano-1H-2-Benzopyran-7-Carboxamide
• Synonyms: Nsc337587; Sarubicin A
• Molecular Formula: C₁₃H₁₄N₂O₆
• Molecular Weight: 294.26
• CAS Registry Number: 75533-14-1
• SMILES: CC1OC2C3=C(C1(O)C(O)C2)C(=O)C(=C(C3=O)C(=O)N)N
• InChI: 1S/C13H14N2O6/c1-3-13(20)5(16)2-4(21-3)6-8(13)11(18)9(14)7(10(6)17)12(15)19/h3-5,16,20H,2,14H2,1H3,(H2,15,19)
• InChIKey: LPYSGWGVFQFKJA-UHFFFAOYSA-N

Properties

• Density: 1.684g/cm³ (Cal.)
• Boiling point: 608.954°C at 760 mmHg (Cal.)
• Flash point: 322.084°C (Cal.)