化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-吡啶-2-ylpropanoyl]氧基-9-甲氧基-10,14,20,20-四甲基-11,18-二氧代-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoyl]oxy-9-methoxy-10,14,20,20-tetramethyl-11,18-dioxo-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C48H59N3O16/c1-24-30-34(62-42(58)51(9)10)36(54)46(8)29(60-11)23-27-20-21-47(27,65-25(2)52)35(46)38(63-39(55)26-17-13-12-14-18-26)48(45(30,6)7)37(64-43(59)67-48)33(24)61-40(56)32(53)31(28-19-15-16-22-49-28)50-41(57)66-44(3,4)5/h12-19,22,27,29,31-35,37-38,53H,20-21,23H2,1-11H3,(H,50,57)/t27-,29+,31+,32-,33-,34-,35+,37+,38+,46-,47+,48-/m1/s1

InChI Key

QAJYECAYZCUAPU-BHMKOBNTSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4CCC4(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=N6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)OC(=O)C)OC)C)OC(=O)N(C)C

别名

• SCHEMBL18251614