Home > Product Catalog > All > Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)

Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)

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Catalog No. : NC35039

CAS No. : 95935-22-1

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Molecular Formula : C₈₂H₈₄Cl₄N₈O₃₀

Chemical Name : Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)

Molecular Weight : 1,803.39

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Basic information

Standard English name
Cas No.	95935-22-1
Alias	Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Canonical Smiles	CC(C)CCCCCCCC(=O)NC1C(OC2C3=CC4=CC=2OC2=CC=C(C=C2Cl)C(O)C2NC(=O)C(NC)C5C=C(OC6=CC(O)=C(Cl)C(=C6)C(NC2=O)C(=O)NC4C(=O)NC2C4C=C(C6C(=CC(O)=CC=6OC6OC(CO)C(O)C(O)C6O)C(NC(=O)C(NC2=O)C(O)C2C=C(Cl)C(O3)=C(Cl)C=2)C(O)=O)C(O)=CC=4)C(O)=CC=5)OC(C(O)C1O)C(O)=O
MDL No.
Exact Mass	1,800.40475
Smiles	O=C(O)C1OC(OC2=C3OC4=CC=C(C=C4Cl)C(O)C5NC(=O)C(NC)C6=CC=C(O)C(OC7=CC(O)=C(Cl)C(=C7)C(NC5=O)C(=O)NC8C(=O)NC9C(=O)NC(C(=O)NC(C(=O)O)C%10=CC(O)=CC(OC%11OC(CO)C(O)C(O)C%11O)=C%10C%12=CC9=CC=C%12O)C(O)C%13=CC(Cl)=C(OC2=CC8=C3)C(Cl)=C%13)=C6)C(NC(=O)CCCCCCCC(C)C)C(O)C1O

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Feature
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Inchi	InChI=1S/C82H84Cl4N8O30/c1-29(2)9-7-5-4-6-8-10-52(100)88-62-66(104)68(106)72(80(116)117)124-81(62)123-71-49-22-33-23-50(71)120-70-41(84)19-34(20-42(70)85)64(102)61-78(113)92-59(79(114)115)38-24-35(96)25-48(121-82-69(107)67(105)65(103)51(28-95)122-82)53(38)37-17-30(11-14-43(37)97)56(74(109)94-61)89-75(110)57(33)90-76(111)58-39-26-36(27-45(99)54(39)86)118-47-21-31(12-15-44(47)98)55(87-3)73(108)93-60(77(112)91-58)63(101)32-13-16-46(119-49)40(83)18-32/h11-27,29,51,55-69,72,81-82,87,95-99,101-107H,4-10,28H2,1-3H3,(H,88,100)(H,89,110)(H,90,111)(H,91,112)(H,92,113)(H,93,108)(H,94,109)(H,114,115)(H,116,117)
InchiKey	RRLODODSHAQKPU-UHFFFAOYSA-N
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