Methyl (7Z,9E,11R,12R,13R,14R,15R,16R,17S,18R,19R,20Z)-2-acetoxy-12,14,16,18,19,31-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1^4,29.0^26,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate
[CAS# 23344-17-4]

Identification

• Name: Methyl (7Z,9E,11R,12R,13R,14R,15R,16R,17S,18R,19R,20Z)-2-acetoxy-12,14,16,18,19,31-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1^4,29.0^26,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate
• Synonyms: streptovaricin C; streptovaricinoic acid methyl ester
• Molecular Formula: C₄₀H₅₁NO₁₄
• Molecular Weight: 769.83
• CAS Registry Number: 23344-17-4
• SMILES: CC(=O)Oc3c(C)c4NC(=O)C(/C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C(=O)OC)[C@H](O)[C@H](C)[C@@H](O)[C@](C)(O)/C=C(/C)\C=2OCO\C\1=C(/C)C(=O)c(c3C/1=2)c4O
• InChI: 1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11+,17-13-,18-14-/t16-,20-,22+,27-,29-,30-,32-,37-,40-/m1/s1
• InChIKey: JDECNKBYILMOLE-COUSAVFASA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 945.118°C at 760 mmHg (Cal.)
• Flash point: 525.389°C (Cal.)
• Refractive index: 1.625 (Cal.)