Adimicin
[CAS# 8065-26-7]

Identification

• Name: Adimicin
• Synonyms: (2Z,4S,4Ar,5S,5Ar,6S,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-5,6,10,11,12A-Pentahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Propanoate; Dodecyl Hydrogen Sulfate; (2Z,4S,4Ar,5S,5Ar,6S,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-5,6,10,11,12A-Pentahydroxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; Dodecyl Hydrogen Sulfate; Propanoic Acid [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-7,12,13-Trihydroxy-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-3-Tetrahydropyranyl] Ester
• Molecular Formula: C₇₄H₁₂₁N₃O₂₇S
• Molecular Weight: 1516.83
• CAS Registry Number: 8065-26-7
• SMILES: [C@@H]23[C@@H](O)[C@@H]1[C@](O)(C4=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3N(C)C)=C(/O)N)O)C(=CC=C4)O)C.[C@@H]7(O[C@@H]5O[C@@H](C[C@H](N(C)C)[C@H]5OC(=O)CC)C)[C@H]([C@H](O[C@@H]6O[C@H]([C@H](O)[C@](OC)(C6)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]7(O)C)C)C)C)CC)=O)C)C.C(CCCCCC)CCCCCO[S](O)(=O)=O
• InChI: 1S/C40H71NO14.C22H24N2O9.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2-12H2,1H3,(H,13,14,15)/b;20-11-;/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;12-,13-,14+,17+,21-,22+;/m11./s1
• InChIKey: VEXROOILRZSNQP-WAKVBCFTSA-N

Properties

• Boiling point: 827.7°C at 760 mmHg (Cal.)
• Flash point: 454.4°C (Cal.)