Analytenname

N-Nitroso Lurbinectedin

Molekularformel

C41 H43 N5 O11 S

Molekulargewicht

813.87

Genaue Masse

813.27

SMILES

CC1=C(OCO2)C2=C([C@H](CO3)N([C@@H](O)[C@H](C4)N(C)[C@@H]5C6=C4C=C(C)C(OC)=C6O)[C@@]5([H])[C@@H]7SC[C@@](N8N=O)(C9=C(C(C=C(OC)C=C%10)=C%10N9)CC8)C3=O)C7=C1OC(C)=O

InChI

InChI=1S/C41H43N5O11S/c1-17-11-20-12-25-39(49)46-26-14-54-40(50)41(38-22(9-10-45(41)43-51)23-13-21(52-5)7-8-24(23)42-38)15-58-37(31(46)30(44(25)4)27(20)32(48)33(17)53-6)29-28(26)36-35(55-16-56-36)18(2)34(29)57-19(3)47/h7-8,11,13,25-26,30-31,37,39,42,48-49H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1

IUPAC

[(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-2'-nitroso-27-oxo-spiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-4,9-dihydro-3H-pyrido[3,4-b]indole]-22-yl] Acetate

Herkunftsland

CANADA

Produktformat

Neat