化学式

CAS号

IUPAC Name

[(1S,2S,4S,10S,11S,13R,16R,17S)-4,13-二乙酰-10-羟基-2-[羟基(苯基)甲氧基]-11,15,21,21-四甲基-12,19-二氧代-6,18,20-trioxahexacyclo[12.6.1.01,17.03,11.04,7.07,9]henicos-14-烯-16-基](2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]己酸 [(1S,2S,4S,10S,11S,13R,16R,17S)-4,13-diacetyloxy-10-hydroxy-2-[hydroxy(phenyl)methoxy]-11,15,21,21-tetramethyl-12,19-dioxo-6,18,20-trioxahexacyclo[12.6.1.01,17.03,11.04,7.07,9]henicos-14-en-16-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

InChI

InChI=1S/C45H59NO17/c1-20(2)17-26(46-38(54)62-40(6,7)8)28(49)37(53)58-29-21(3)27-30(57-22(4)47)33(51)42(11)31(44(61-23(5)48)19-56-43(44)18-25(43)32(42)50)35(59-36(52)24-15-13-12-14-16-24)45(41(27,9)10)34(29)60-39(55)63-45/h12-16,20,25-26,28-32,34-36,49-50,52H,17-19H2,1-11H3,(H,46,54)/t25?,26-,28+,29+,30+,31?,32-,34-,35-,36?,42-,43?,44+,45+/m0/s1

InChI Key

GCKBPJPVSFSABW-QUKZGFDXSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(C(C4(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O4)OC(C5=CC=CC=C5)O)C6(COC67CC7C3O)OC(=O)C)C)OC(=O)C

别名

• SCHEMBL19374598