化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-二乙酰-9-羟基-15-[(2R,3S)-2-羟基-2,5-二甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-10,14,20,20-四甲基-11,18-二氧代-6,17,19-trioxapentacyclo[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)-4,12-diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C45H59NO17/c1-21(2)18-26(46-38(53)62-40(6,7)8)43(12,55)37(52)58-30-22(3)29-31(57-23(4)47)33(50)42(11)27(49)19-28-44(20-56-28,61-24(5)48)32(42)35(59-36(51)25-16-14-13-15-17-25)45(41(29,9)10)34(30)60-39(54)63-45/h13-17,21,26-28,30-32,34-35,49,55H,18-20H2,1-12H3,(H,46,53)/t26-,27-,28+,30+,31+,32-,34-,35-,42+,43+,44-,45+/m0/s1

InChI Key

OPEBCBZDWUCSNL-NMEHQNDLSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C)(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

别名