Mideplanin
[CAS# 122173-74-4]

Identification

• Name: Mideplanin
• Synonyms: Mideplanin [Inn]; Ristomycin A Aglycone, 34-O-(2-(Acetylamino)-2-Deoxy-Beta-D-Glucopyranosyl)-22,31-Dichloro-38-De(Methoxycarbonyl)-7-Demethyl-19-Deoxy-56-O-(2-Deoxy-2-((8-Methyl-1-Oxononyl)Amino)-Beta-D-Glucopyranosyl)-38-(((3-(Dimethylamino)Propyl)Amino)Carbonyl)-42-O-Alpha-D-Mannopyranosyl-
• Molecular Formula: C₉₃H₁₀₉Cl₂N₁₁O₃₂
• Molecular Weight: 1963.84
• CAS Registry Number: 122173-74-4
• SMILES: C1=C(O)C=C(C6=C1C(NC(C8C(C%12=CC(=C(OC2=CC5=CC(=C2OC3C(C(C(O)C(O3)CO)O)NC(CCCCCCC(C)C)=O)OC4=CC=C(C=C4Cl)CC%11C(NC(C(NC5C(NC(C7=CC6=C(C=C7)O)C(=O)N8)=O)=O)C9=CC(=CC(=C9)OC%10=C(C=CC(=C%10)C(C(N%11)=O)N)O)O)=O)C=C%12)Cl)OC%13C(C(C(O)C(O%13)CO)O)NC(C)=O)=O)C(NCCCN(C)C)=O)OC%14OC(C(O)C(C%14O)O)CO
• InChI: 1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)
• InChIKey: KVZUWEFUEGGULL-UHFFFAOYSA-N

Properties

• Density: 1.62g/cm³ (Cal.)