Home > Product Catalog > All > Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)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-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)

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Catalog No. : NC35040

CAS No. : 95935-23-2

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Molecular Formula : C₈₃H₈₆Cl₄N₈O₃₀

Chemical Name : Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)

Molecular Weight : 1,817.42

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Basic information

Standard English name
Cas No.	95935-23-2
Alias	Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Canonical Smiles	CC(C)CCCCCCCCC(=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	1,814.42040
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)CCCCCCCCC(C)C)C(O)C1O

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Feature
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Inchi	InChI=1S/C83H86Cl4N8O30/c1-30(2)10-8-6-4-5-7-9-11-53(101)89-63-67(105)69(107)73(81(117)118)125-82(63)124-72-50-23-34-24-51(72)121-71-42(85)20-35(21-43(71)86)65(103)62-79(114)93-60(80(115)116)39-25-36(97)26-49(122-83-70(108)68(106)66(104)52(29-96)123-83)54(39)38-18-31(12-15-44(38)98)57(75(110)95-62)90-76(111)58(34)91-77(112)59-40-27-37(28-46(100)55(40)87)119-48-22-32(13-16-45(48)99)56(88-3)74(109)94-61(78(113)92-59)64(102)33-14-17-47(120-50)41(84)19-33/h12-28,30,52,56-70,73,82-83,88,96-100,102-108H,4-11,29H2,1-3H3,(H,89,101)(H,90,111)(H,91,112)(H,92,113)(H,93,114)(H,94,109)(H,95,110)(H,115,116)(H,117,118)
InchiKey	XTPMKDURDRUIIR-UHFFFAOYSA-N
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