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-phenylpropanoyl]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-phenylpropanoyl]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/C49H60N2O16/c1-25-31-35(62-43(58)51(9)10)37(54)47(8)30(60-11)24-29-22-23-48(29,65-26(2)52)36(47)39(63-40(55)28-20-16-13-17-21-28)49(46(31,6)7)38(64-44(59)67-49)34(25)61-41(56)33(53)32(27-18-14-12-15-19-27)50-42(57)66-45(3,4)5/h12-21,29-30,32-36,38-39,53H,22-24H2,1-11H3,(H,50,57)/t29-,30+,32+,33-,34-,35-,36+,38+,39+,47-,48+,49-/m1/s1

InChI Key

SIJBLLQXWAQGPC-DUWBZNQASA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4CCC4(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=C6)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

• SCHEMBL18251604