Kibdelin C2
[CAS# 105997-85-1]

Identification

• Name: Kibdelin C2
• Synonyms: Ristomycin A Aglycone, 5,22,31,55-Tetrachloro-7-Demethyl-64-O-Demethyl-56-O-(2-Deoxy-2-((1-Oxododecyl)Amino)-Beta-D-Glucopyranosyl)-42-O-Alpha-D-Mannopyranosyl-N15-Methyl-
• Molecular Formula: C₈₃H₈₈Cl₄N₈O₂₉
• Molecular Weight: 1803.46
• CAS Registry Number: 105997-85-1
• SMILES: C2=C%11C(=C(OC1OC(C(O)C(O)C1O)CO)C=C2O)C3=C(O)C=CC(=C3)C%10NC(=O)C7NC(=O)C5NC(=O)C(NC(=O)C(NC)C4=CC(=C(O)C=C4)OC6=CC5=C(Cl)C(=C6)O)C(O)C%13=CC(=C(OC8=CC7=CC(=C8OC9OC(C(O)C(O)C9NC(=O)CCCCCCCCCCC)CO)OC%12=C(Cl)C=C(C(O)C(NC%10=O)C(=O)NC%11C(=O)O)C=C%12Cl)C=C%13)Cl
• InChI: 1S/C83H88Cl4N8O29/c1-3-4-5-6-7-8-9-10-11-12-55(102)89-65-70(107)68(105)53(30-96)122-82(65)124-74-51-24-35-25-52(74)120-73-43(85)21-36(22-44(73)86)67(104)64-80(115)93-62(81(116)117)40-26-37(98)27-50(121-83-72(109)71(108)69(106)54(31-97)123-83)56(40)39-19-32(13-16-45(39)99)59(76(111)95-64)90-77(112)60(35)91-78(113)61-41-28-38(29-47(101)57(41)87)118-49-23-33(14-17-46(49)100)58(88-2)75(110)94-63(79(114)92-61)66(103)34-15-18-48(119-51)42(84)20-34/h13-29,53-54,58-72,82-83,88,96-101,103-109H,3-12,30-31H2,1-2H3,(H,89,102)(H,90,112)(H,91,113)(H,92,114)(H,93,115)(H,94,110)(H,95,111)(H,116,117)
• InChIKey: GWYRZMPGANUJTA-UHFFFAOYSA-N

Properties

• Density: 1.69g/cm³ (Cal.)