化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-二乙酰-15-[(2R,3R)-3-(呋喃-2-基)-2-羟基-2-甲基-3-[(2-甲基-2-基)oxycarbonylamino]丙酰基]氧基-9-羟基-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-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-9-hydroxy-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/C45H53NO18/c1-21-28-30(58-22(2)47)33(50)42(9)26(49)19-27-44(20-57-27,62-23(3)48)31(42)35(60-36(51)24-15-12-11-13-16-24)45(41(28,7)8)34(61-39(54)64-45)29(21)59-37(52)43(10,55)32(25-17-14-18-56-25)46-38(53)63-40(4,5)6/h11-18,26-27,29-32,34-35,49,55H,19-20H2,1-10H3,(H,46,53)/t26-,27+,29+,30+,31-,32-,34-,35-,42+,43+,44-,45+/m0/s1

InChI Key

XJXPNLWQDKWTRB-KBIDLBNUSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C)(C(C6=CC=CO6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

别名

• CHEMBL144191