化学式

CAS号

IUPAC Name

[(4S,6R,11R,12R)-11-[(2R,3R,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-4-(2-氧代-1,3-二氧杂烷-4-基)-5-氧杂三环[8.3.0.04,6]tridec-1(13)-烯-2,7-壬二烯-12-基]2-羟基-7-甲氧基-5-甲基萘-1-甲酸基酯 [(4S,6R,11R,12R)-11-[(2R,3R,4R,5R,6R)-3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxymethoxycarbonyl-methylamino]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(2-oxo-1,3-dioxolan-4-yl)-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate

InChI

InChI=1S/C49H50N2O18/c1-24-18-29(61-4)20-32-30(24)12-13-33(52)39(32)45(58)66-34-19-28-16-17-49(36-22-62-48(60)67-36)35(69-49)7-5-6-31(28)43(34)68-46-40(42(56)41(55)25(2)65-46)50(3)47(59)64-23-63-44(57)27-10-8-26(9-11-27)21-51-37(53)14-15-38(51)54/h12-15,18-20,25-27,31,34-36,40-43,46,52,55-56H,6,8-11,21-23H2,1-4H3/t25-,26?,27?,31?,34-,35-,36?,40-,41+,42-,43-,46-,49+/m1/s1

InChI Key

KJUBXYPCSRKNEV-RODWZHOMSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C3CC#CC4C(O4)(C#CC3=CC2OC(=O)C5=C(C=CC6=C5C=C(C=C6C)OC)O)C7COC(=O)O7)N(C)C(=O)OCOC(=O)C8CCC(CC8)CN9C(=O)C=CC9=O)O)O

别名

• SCHEMBL17779565