化学式

CAS号

IUPAC Name

[(4R,6R,11R,12R)-11-[(2R,4R,5R,6R)-3-[[4-[(2,5-dioxopyrrol-1-基)甲基]环己烷羰基]oxymethoxycarbonyl-甲基氨基]-4,5-二羟基-6-methyloxan-2-基]氧基-6-甲基-4-(2-氧代-1,3-二氧杂烷-4-基)-5-氧杂三环[8.3.0.04,6]trideca-1(13),9-二烯-2,7-壬二烯-12-基]2-羟基-7-甲氧基-5-甲基萘-1-甲酸基酯 [(4R,6R,11R,12R)-11-[(2R,4R,5R,6R)-3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxymethoxycarbonyl-methylamino]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-4-(2-oxo-1,3-dioxolan-4-yl)-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate

InChI

InChI=1S/C50H50N2O18/c1-25-19-30(62-5)21-33-31(25)12-13-34(53)39(33)45(59)67-35-20-29-16-18-50(36-23-63-48(61)68-36)49(3,70-50)17-6-7-32(29)43(35)69-46-40(42(57)41(56)26(2)66-46)51(4)47(60)65-24-64-44(58)28-10-8-27(9-11-28)22-52-37(54)14-15-38(52)55/h7,12-15,19-21,26-28,35-36,40-43,46,53,56-57H,8-11,22-24H2,1-5H3/t26-,27?,28?,35-,36?,40?,41+,42-,43-,46-,49-,50-/m1/s1

InChI Key

SUCWJOANRUABHM-CVYSICSISA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C=C3C2=CC#CC4(C(O4)(C#C3)C5COC(=O)O5)C)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)N(C)C(=O)OCOC(=O)C8CCC(CC8)CN9C(=O)C=CC9=O)O)O

别名

• SCHEMBL17634465