Grincamycin
[CAS# 113395-84-9]

Identification

• Name: Grincamycin
• Synonyms: 9-[(2S,3S,4R,5S)-3,4-Dihydroxy-6-Methyl-5-[6-Methyl-5-(6-Methyl-5-Oxo-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Tetrahydropyran-2-Yl]-4A,8,12B-Trihydroxy-3-Methyl-3-[6-Methyl-5-(6-Methyl-5-Oxo-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; 9-[(2S,3S,4R,5S)-3,4-Dihydroxy-6-Methyl-5-[6-Methyl-5-[(6-Methyl-5-Oxo-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]-2-Tetrahydropyranyl]-4A,8,12B-Trihydroxy-3-Methyl-3-[[6-Methyl-5-[(6-Methyl-5-Oxo-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]Oxy]-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione; 9-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-[5-(5-Keto-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]-6-Methyl-Tetrahydropyran-2-Yl]-4A,8,12B-Trihydroxy-3-[5-(5-Keto-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3-Methyl-2,4-Dihydrobenzo[A]Anthracene-1,7,12-Trione
• Molecular Formula: C₄₉H₆₂O₁₈
• Molecular Weight: 939.02
• CAS Registry Number: 113395-84-9
• SMILES: [C@H]1(OC([C@H]([C@@H](O)[C@@H]1O)C3OC(C(OC2OC(C(=O)CC2)C)CC3)C)C)C9=C(O)C4=C(C(=O)C5=C(C4=O)C=CC8(O)C5(O)C(=O)CC(OC7OC(C(OC6OC(C(=O)CC6)C)CC7)C)(C8)C)C=C9
• InChI: 1S/C49H62O18/c1-21-29(50)9-14-35(61-21)65-31-11-12-33(60-23(31)3)38-25(5)64-46(45(57)44(38)56)28-8-7-26-39(42(28)54)41(53)27-17-18-48(58)20-47(6,19-34(52)49(48,59)40(27)43(26)55)67-37-16-13-32(24(4)63-37)66-36-15-10-30(51)22(2)62-36/h7-8,17-18,21-25,31-33,35-38,44-46,54,56-59H,9-16,19-20H2,1-6H3/t21?,22?,23?,24?,25?,31?,32?,33?,35?,36?,37?,38-,44+,45-,46-,47?,48?,49?/m0/s1
• InChIKey: IXPHWNDNFODHFL-NNVSXWABSA-N

Properties

• Density: 1.451g/cm³ (Cal.)