化学式

CAS号

IUPAC Name

[(4S,6R,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-二羟基-6-甲基-3-[甲基-[[4-[(3-甲基硫代-2,5-二氧代吡咯烷-1-基)甲基]环己烷羰基]oxymethoxycarbonyl]氨基]四氢吡喃-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]trideca-1(13),9-二烯-2,7-壬二烯-12-基]7-甲氧基-5-甲基萘-1-甲酸基酯 [(4S,6R,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[methyl-[[4-[(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexanecarbonyl]oxymethoxycarbonyl]amino]oxan-2-yl]oxy-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] 7-methoxy-5-methylnaphthalene-1-carboxylate

InChI

InChI=1S/C50H52N2O17S/c1-25-18-30(61-4)20-34-31(25)8-6-10-33(34)46(58)66-35-19-29-16-17-50(38-23-62-49(60)67-38)37(69-50)11-7-9-32(29)43(35)68-47-40(42(55)41(54)26(2)65-47)51(3)48(59)64-24-63-45(57)28-14-12-27(13-15-28)22-52-39(53)21-36(70-5)44(52)56/h6,8-10,18-20,26-28,35-38,40-43,47,54-55H,12-15,21-24H2,1-5H3/t26-,27?,28?,35-,36?,37-,38?,40-,41+,42-,43-,47-,50+/m1/s1

InChI Key

YWNNOVHZEPLUNQ-ZINPCBKXSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C=C3C2=CC#CC4C(O4)(C#C3)C5COC(=O)O5)OC(=O)C6=CC=CC7=C6C=C(C=C7C)OC)N(C)C(=O)OCOC(=O)C8CCC(CC8)CN9C(=O)CC(C9=O)SC)O)O

别名

• SCHEMBL17775284