Kibdelin D
[CAS# 105997-86-2]

Identification

• Name: Kibdelin D
• Synonyms: Ristomycin A Aglycone, 5,22,31,55-Tetrachloro-7-Demethyl-64-O-Demethyl-56-O-(2-Deoxy-2-((1-Oxo-4-Decenyl)Amino)-Beta-D-Glucopyranosyl)-42-O-Alpha-D-Mannopyranosyl-N15-Methyl-
• Molecular Formula: C₈₁H₈₂Cl₄N₈O₂₉
• Molecular Weight: 1773.39
• CAS Registry Number: 105997-86-2
• SMILES: C1=C(O)C=C%13C(=C1OC2OC(CO)C(O)C(O)C2O)C3=C(O)C=CC(=C3)C6C(NC(C(C%12=CC(=C(OC5=C(OC4C(NC(CC/C=C/CCCCC)=O)C(O)C(O)C(CO)O4)C%10=CC(=C5)C(C(N6)=O)NC(=O)C8NC(=O)C(NC(=O)C(NC)C7=CC(=C(O)C=C7)OC9=CC8=C(Cl)C(=C9)O)C(O)C%11=CC(=C(O%10)C=C%11)Cl)C(=C%12)Cl)Cl)O)C(NC%13C(O)=O)=O)=O
• InChI: 1S/C81H82Cl4N8O29/c1-3-4-5-6-7-8-9-10-53(100)87-63-68(105)66(103)51(28-94)120-80(63)122-72-49-22-33-23-50(72)118-71-41(83)19-34(20-42(71)84)65(102)62-78(113)91-60(79(114)115)38-24-35(96)25-48(119-81-70(107)69(106)67(104)52(29-95)121-81)54(38)37-17-30(11-14-43(37)97)57(74(109)93-62)88-75(110)58(33)89-76(111)59-39-26-36(27-45(99)55(39)85)116-47-21-31(12-15-44(47)98)56(86-2)73(108)92-61(77(112)90-59)64(101)32-13-16-46(117-49)40(82)18-32/h7-8,11-27,51-52,56-70,80-81,86,94-99,101-107H,3-6,9-10,28-29H2,1-2H3,(H,87,100)(H,88,110)(H,89,111)(H,90,112)(H,91,113)(H,92,108)(H,93,109)(H,114,115)/b8-7+
• InChIKey: FZLZXWVVGYPKAS-BQYQJAHWSA-N

Properties

• Density: 1.73g/cm³ (Cal.)