化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,16R)-4,12-二乙酰-9-羟基-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-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icosan-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,16R)-4,12-diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,16,20,20-pentamethyl-11,18-dioxo-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icosan-2-yl] benzoate

InChI

InChI=1S/C46H63NO16/c1-22(2)20-28(47-39(55)61-41(6,7)8)31(51)38(54)58-35-23(3)30-32(57-24(4)48)34(52)43(11)29(50)21-27-18-19-45(27,60-25(5)49)33(43)36(59-37(53)26-16-14-13-15-17-26)46(42(30,9)10)44(35,12)62-40(56)63-46/h13-17,22-23,27-33,35-36,50-51H,18-21H2,1-12H3,(H,47,55)/t23?,27-,28+,29+,30?,31-,32-,33+,35?,36+,43-,44-,45+,46-/m1/s1

InChI Key

DRXABWFEWLOTQT-SXLZXMQBSA-N

Canonical SMILES

CC1C2C(C(=O)C3(C(CC4CCC4(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)OC(=O)C)O)C)OC(=O)C

别名