化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,16R)-4-乙酰氧基-9-羟基-12-(1-羟基乙氧基)-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-10,14,16,20,20-五甲基-11,18-二氧代-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icosan-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,16R)-4-acetyloxy-9-hydroxy-12-(1-hydroxyethoxy)-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,16,20,20-pentamethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icosan-2-yl] benzoate

InChI

InChI=1S/C45H63NO17/c1-21(2)18-26(46-38(54)61-40(6,7)8)30(50)37(53)58-34-22(3)29-31(57-23(4)47)33(51)42(11)27(49)19-28-44(20-56-28,60-24(5)48)32(42)35(59-36(52)25-16-14-13-15-17-25)45(41(29,9)10)43(34,12)62-39(55)63-45/h13-17,21-23,26-32,34-35,47,49-50H,18-20H2,1-12H3,(H,46,54)/t22?,23?,26-,27-,28+,29?,30+,31+,32-,34?,35-,42+,43+,44-,45+/m0/s1

InChI Key

KKTOHHXJSPIXIK-BZPGGNMDSA-N

Canonical SMILES

CC1C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)(OC(=O)O5)C)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(C)O

别名