Methyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-(methylsulfanyl)-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.0^5,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
[CAS# 87913-35-7]

Identification

• Name: Methyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-(methylsulfanyl)-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.0^5,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
• Synonyms: Antibiotic Tan 528A; Awamycin
• Molecular Formula: C₃₈H₄₉NO₁₂S
• Molecular Weight: 743.86
• CAS Registry Number: 87913-35-7
• SMILES: O=C1c2c3C(=O)/C(=C1/SC)NC(=O)/C(=C\C=C\C(C(O)C(C)C(O)C(C(=O)OC)C(O)C(C)C(O)C(/C=C(\C(=O)c2c(OC)c(c3O)C)C)C)C)C
• InChI: 1S/C38H49NO12S/c1-15-12-11-13-16(2)37(48)39-26-33(46)23-22(34(47)36(26)52-10)24(35(50-8)21(7)32(23)45)29(42)18(4)14-17(3)28(41)20(6)31(44)25(38(49)51-9)30(43)19(5)27(15)40/h11-15,17,19-20,25,27-28,30-31,40-41,43-45H,1-10H3,(H,39,48)/b12-11+,16-13-,18-14-
• InChIKey: WZCNXFSCUFEMGW-UMLOSGLNSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 991.271°C at 760 mmHg (Cal.)
• Flash point: 553.301°C (Cal.)