[26-[(Dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

[26-[(Dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate · CAS 4135-85-7

中文名: 暂无
中文别名: 暂无
英文名: [26-[(Dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
CAS: 4135-85-7
CID: 422609
IUPAC 名称: [26-[(dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: [26-[(Dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
CAS: 4135-85-7
CID: 422609
IUPAC 名称: [26-[(dimethylamino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

分子属性

分子式: C40H54N2O12
分子量: 754.9 g/mol
精确质量: 754.36767516 Da
单同位素质量: 754.36767516 Da
XLogP: 4.7
极性表面积: 205 Å²
氢键供体: 6
氢键受体: 13
可旋转键: 5
重原子数: 54
净电荷: 0
结构复杂度: 1430

结构标识

InChIKey: MLCFJDJPAIZRMR-UHFFFAOYSA-N
SMILES: CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)C
InChI: InChI=1S/C40H54N2O12/c1-18-13-12-14-19(2)39(50)41-30-25(17-42(9)10)34(47)27-28(35(30)48)33(46)23(6)37-29(27)38(49)40(8,54-37)52-16-15-26(51-11)20(3)36(53-24(7)43)22(5)32(45)21(4)31(18)44/h12-16,18,20-22,26,31-32,36,44-48H,17H2,1-11H3,(H,41,50)