(7S,16S,17S,27S,36S,37S,3R,23R)-1,8,11,14,20,21,28,31,34,40-Decaaza-3,23-Bis[(3-Hydroxy-6-Methoxy(2-Quinolyl))Carbonylamino]-7,27-Bis(1-Hydroxy-Isopropyl)-37-Hydroxy-8,11,28,31-Tetramethyl-5,25-Dioxa-2,6,9,12,15,22,26,29,32,35-Decaoxotricyclo[34.4.0.0<16,21>]Tetraconta-19,39-Dien-17-Yl Acetate
[CAS# 76149-24-1]

Identification

• Name: (7S,16S,17S,27S,36S,37S,3R,23R)-1,8,11,14,20,21,28,31,34,40-Decaaza-3,23-Bis[(3-Hydroxy-6-Methoxy(2-Quinolyl))Carbonylamino]-7,27-Bis(1-Hydroxy-Isopropyl)-37-Hydroxy-8,11,28,31-Tetramethyl-5,25-Dioxa-2,6,9,12,15,22,26,29,32,35-Decaoxotricyclo[34.4.0.0<16,21>]Tetraconta-19,39-Dien-17-Yl Acetate
• Synonyms: Aids-108417; Aids108417; Luzopeptin B
• Molecular Formula: C₆₂H₇₆N₁₄O₂₃
• Molecular Weight: 1385.36
• CAS Registry Number: 76149-24-1
• SMILES: [C@@H]57N(C([C@H](NC(C1=NC2=C(C=C1O)C=C(C=C2)OC)=O)COC([C@@H](N(C(CN(C(CNC([C@H]6N(C([C@H](NC(C3=NC4=C(C=C3O)C=C(C=C4)OC)=O)COC([C@@H](N(C(CN(C(CNC5=O)=O)C)=O)C)C(O)(C)C)=O)=O)N=CC[C@@H]6O)=O)=O)C)=O)C)C(O)(C)C)=O)=O)N=CC[C@@H]7OC(=O)C
• InChI: 1S/C62H76N14O23/c1-30(77)99-42-17-19-66-76-50(42)56(88)64-25-44(82)72(7)27-46(84)74(9)51(61(2,3)93)59(91)97-28-37(69-53(85)47-40(79)22-31-20-33(95-10)12-14-35(31)67-47)57(89)75-49(39(78)16-18-65-75)55(87)63-24-43(81)71(6)26-45(83)73(8)52(62(4,5)94)60(92)98-29-38(58(76)90)70-54(86)48-41(80)23-32-21-34(96-11)13-15-36(32)68-48/h12-15,18-23,37-39,42,49-52,78-80,93-94H,16-17,24-29H2,1-11H3,(H,63,87)(H,64,88)(H,69,85)(H,70,86)/t37-,38-,39+,42+,49+,50+,51-,52-/m1/s1
• InChIKey: HIWMCVYLBVFQQN-VBOHDVKSSA-N

Properties

• Density: 1.51g/cm³ (Cal.)