化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,5R,7S,8S,10R,13R,14S)-4,10-二乙酰-7-羟基-4-(羟甲基)-13-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-5,8,12,18,18-五甲基-9,16-二氧代-15,17-dioxatetracyclo[9.6.1.01,14.03,8]十八-11-烯-2-基]苯甲酸 [(1S,2S,3R,4S,5R,7S,8S,10R,13R,14S)-4,10-diacetyloxy-7-hydroxy-4-(hydroxymethyl)-13-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-5,8,12,18,18-pentamethyl-9,16-dioxo-15,17-dioxatetracyclo[9.6.1.01,14.03,8]octadec-11-en-2-yl] benzoate

InChI

InChI=1S/C45H61NO17/c1-21(2)18-27(46-39(55)62-41(7,8)9)30(51)38(54)58-31-23(4)29-32(57-24(5)48)34(52)43(12)28(50)19-22(3)44(20-47,61-25(6)49)33(43)36(59-37(53)26-16-14-13-15-17-26)45(42(29,10)11)35(31)60-40(56)63-45/h13-17,21-22,27-28,30-33,35-36,47,50-51H,18-20H2,1-12H3,(H,46,55)/t22-,27+,28+,30-,31-,32-,33+,35+,36+,43-,44+,45-/m1/s1

InChI Key

VDIRUNGAXYIOSD-UREKURFDSA-N

Canonical SMILES

CC1CC(C2(C(C1(CO)OC(=O)C)C(C34C(C(C(=C(C3(C)C)C(C2=O)OC(=O)C)C)OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O4)OC(=O)C5=CC=CC=C5)C)O

别名

• SCHEMBL14484183