Analytenname

Aclarubicin

CAS-Nummer

57576-44-0

Molekularformel

C42H53NO15

Molekulargewicht

811.87

SMILES

OC1=C2C(C(C(C=C([C@@H](C(OC)=O)[C@@](O)(CC)C[C@@H]3O[C@@]4([H])C[C@H](N(C)C)[C@H](O[C@]5([H])O[C@@H](C)[C@@H](O[C@@]6([H])CCC([C@H](C)O6)=O)[C@@H](O)C5)[C@H](C)O4)C3=C7O)=C7C2=O)=O)=CC=C1

InChI

InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

IUPAC

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Bioactive Small Molecule; API

Produktformat

Neat

API-Familie

Aclarubicin