Chelocardin
[CAS# 29144-42-1]

Identification

• Name: Chelocardin
• Synonyms: (1R,4Ar,12As)-3-Acetyl-1-Amino-4,4A,6,7-Tetrahydroxy-8,11-Dimethyl-12,12A-Dihydro-1H-Tetracene-2,5-Quinone; (1R,4Ar,12As)-1-Amino-3-Ethanoyl-4,4A,6,7-Tetrahydroxy-8,11-Dimethyl-12,12A-Dihydro-1H-Tetracene-2,5-Dione; Cetocycline
• Molecular Formula: C₂₂H₂₁NO₇
• Molecular Weight: 411.41
• CAS Registry Number: 29144-42-1
• SMILES: [C@H]14[C@](O)(C(=O)C2=C(C1)C(=C3C(=C2O)C(=C(C=C3)C)O)C)C(=C(C(=O)[C@@H]4N)C(=O)C)O
• InChI: 1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1
• InChIKey: LUYXWZOOMKBUMB-ONJZCGHCSA-N

Properties

• Density: 1.573g/cm³ (Cal.)
• Boiling point: 673.386°C at 760 mmHg (Cal.)
• Flash point: 361.051°C (Cal.)