7,8-Dimethyl-10-[(tetrahydro-2,2,6,6-tetramethyl-m-dioxino[5,4-d]-m-dioxin-4-yl)methyl]-isoalloxazine (mixture of regioisomers)

分析物名称

7,8-Dimethyl-10-[(tetrahydro-2,2,6,6-tetramethyl-m-dioxino[5,4-d]-m-dioxin-4-yl)methyl]-isoalloxazine (mixture of regioisomers)

分子式

C23H28N4O6

分子量

456.49

精确质量测定

456.2

SMILES

CC1(C)O[C@H]([C@H](OC(C)(C)OC2)[C@@H]2O1)C[N]3=C(C(N4)=O)C(NC5=C3C=C(C)C(C)=C5)=NC4=O.CC6(C)O[C@H]([C@H](OC(C)(C)OC7)[C@@H]7O6)CN8C(C=C(C)C(C)=C9)=C9N=C(C(N%10)=O)C8=NC%10=O

InChI

InChI=1S/C23H29N4O6.C23H28N4O6/c1-11-7-13-14(8-12(11)2)27(17-19(24-13)25-21(29)26-20(17)28)9-15-18-16(32-23(5,6)31-15)10-30-22(3,4)33-18;1-11-7-13-14(8-12(11)2)27(19-17(24-13)20(28)26-21(29)25-19)9-15-18-16(32-23(5,6)31-15)10-30-22(3,4)33-18/h7-8,15-16,18H,9-10H2,1-6H3,(H2,24,25,26,28,29);7-8,15-16,18H,9-10H2,1-6H3,(H,26,28,29)/t2*15-,16+,18-/m00/s1

IUPAC

7,8-dimethyl-10-(((4S,4aS,8aR)-2,2,6,6-tetramethyltetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methyl)benzo[g]pteridine-2,4(3H,10H)-dione--7,8-dimethyl-5-(((4S,4aS,8aR)-2,2,6,6-tetramethyltetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methyl)-5l4-benzo[g]pteridine-2,4(3H,10H)-dione (1/1)

备用CAS登记号

22854-80-4

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat