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

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Catalog No. : NC35038

CAS No. : 95935-21-0

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Molecular Formula : C₈₁H₈₂Cl₄N₈O₃₀

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

Molecular Weight : 1,789.37

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Basic information

Standard English name
Cas No.	95935-21-0
Alias	Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(1-oxodecyl)amino]-β-D-glucopyranuronosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Canonical Smiles	CNC1C2C=C(OC3=CC(O)=C(Cl)C(=C3)C3NC(=O)C(NC1=O)C(O)C1C=C(Cl)C(=CC=1)OC1C=C4C=C(OC5C(Cl)=CC(=CC=5Cl)C(O)C5NC(=O)C(NC(=O)C4NC3=O)C3C=C(C4C(=CC(O)=CC=4OC4OC(CO)C(O)C(O)C4O)C(NC5=O)C(O)=O)C(O)=CC=3)C=1OC1OC(C(O)C(O)C1NC(=O)CCCCCCCCC)C(O)=O)C(O)=CC=2
MDL No.
Exact Mass	1,786.38910
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(O)C1O

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Inchi	InChI=1S/C81H82Cl4N8O30/c1-3-4-5-6-7-8-9-10-51(99)87-61-65(103)67(105)71(79(115)116)123-80(61)122-70-48-22-32-23-49(70)119-69-40(83)19-33(20-41(69)84)63(101)60-77(112)91-58(78(113)114)37-24-34(95)25-47(120-81-68(106)66(104)64(102)50(28-94)121-81)52(37)36-17-29(11-14-42(36)96)55(73(108)93-60)88-74(109)56(32)89-75(110)57-38-26-35(27-44(98)53(38)85)117-46-21-30(12-15-43(46)97)54(86-2)72(107)92-59(76(111)90-57)62(100)31-13-16-45(118-48)39(82)18-31/h11-27,50,54-68,71,80-81,86,94-98,100-106H,3-10,28H2,1-2H3,(H,87,99)(H,88,109)(H,89,110)(H,90,111)(H,91,112)(H,92,107)(H,93,108)(H,113,114)(H,115,116)
InchiKey	SFGRLMCXHBJMSU-UHFFFAOYSA-N
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