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Anthramycin
[CAS# 4803-27-4]

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Identification
Name Anthramycin
Synonyms (E)-3-(4,6-Dihydroxy-3-Methyl-11-Oxo-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Prop-2-Enamide; (E)-3-(4,6-Dihydroxy-11-Keto-3-Methyl-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Acrylamide; 3-(4,6-Dihydroxy-11-Keto-3-Methyl-5,6,6A,7-Tetrahydropyrrolo[5,1-C][1,4]Benzodiazepin-8-Yl)Acrylamide
Molecular Structure CAS#: 4803-27-4, Anthramycin
Molecular Formula C16H17N3O4
Molecular Weight 315.33
CAS Registry Number 4803-27-4
SMILES C1=CC(=C(C2=C1C(N3C(C(N2)O)CC(=C3)/C=C/C(=O)N)=O)O)C
InChI 1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+
InChIKey VGQOVCHZGQWAOI-HWKANZROSA-N
Properties
Density 1.505g/cm3 (Cal.)
Boiling point 679.872°C at 760 mmHg (Cal.)
Flash point 364.974°C (Cal.)
References
(1) Liangcheng Du and Lili Lou. PKS and NRPS release mechanisms, Nat. Prod. Rep., 2010, 27, 255.
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