Methyl 2-acetoxy-12,14,16,18,19,28-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1^4,29.0^26,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carboxylate
[CAS# 1404-74-6]

Identification

• Name: Methyl 2-acetoxy-12,14,16,18,19,28-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1^4,29.0^26,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carboxylate
• Synonyms: 6, 9:23,24a-Dimethano-24aH-m-dioxino[4,5, 6-st][4]benzazacycloheneicosine-7,11,26 (10H,16H)-trione, 17,18,19, 20,21,22,23,24-octahydro-5,17,19,21, 25-hexahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22, 24-heptamethyl-, 24-acetate; 6,9:23,24a-Dimethano-24aH-m-dioxino[4,5, 6-st][4]benzazacycloheneicosine-7,11,26 (10H,16H)-trione, 17,18,19, 20,21,22,23,24-octahydro-5,17,19,21, 25-hexahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22, 24-heptamethyl-, 24-acetate; Antibiotic composed of several related components obtained from cultures of Streptomyces variabilis
• Molecular Formula: C₄₀H₅₁NO₁₄
• Molecular Weight: 769.83
• CAS Registry Number: 1404-74-6
• SMILES: O=C(OC=3\C(=C4\NC(=O)/C(=C\C=C\C(C)C(O)C(C)C(O)C(C(=O)OC)C(O)C(C)C(O)C(O)(\C=C(\C=2OCO\C\1=C(\C(\O)=C(/C=3C/1=2)C4=O)C)C)C)C)C)C
• 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/h11-14,16,20,22,27,29-30,32,37,43-46,48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+
• InChIKey: FMNPOTNZACJORR-VWSKNAGGSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 843.626°C at 760 mmHg (Cal.)
• Flash point: 464.008°C (Cal.)
• Refractive index: 1.622 (Cal.)