化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-12-甲氧基-9-methoxycarbonyloxy-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-acetyloxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-12-methoxy-9-methoxycarbonyloxy-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/C47H55NO18/c1-23-29-33(57-9)35(51)45(8)27(60-41(55)58-10)21-28-46(22-59-28,64-24(2)49)34(45)37(62-38(52)26-19-15-12-16-20-26)47(44(29,6)7)36(63-42(56)66-47)32(23)61-39(53)31(50)30(25-17-13-11-14-18-25)48-40(54)65-43(3,4)5/h11-20,27-28,30-34,36-37,50H,21-22H2,1-10H3,(H,48,54)/t27-,28+,30-,31+,32+,33+,34-,36-,37-,45+,46-,47+/m0/s1

InChI Key

AEYWDKDFKFVYDR-QCBQWPGPSA-N

Canonical SMILES

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

别名

• CHEMBL3098567
• SCHEMBL16748460