化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-吡啶-2-ylpropanoyl]氧基-9-甲氧基-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-acetyloxy-12-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoyl]oxy-9-methoxy-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/C47H57N3O17/c1-23-29-33(62-41(57)50(9)10)35(53)45(8)27(59-11)21-28-46(22-60-28,65-24(2)51)34(45)37(63-38(54)25-17-13-12-14-18-25)47(44(29,6)7)36(64-42(58)67-47)32(23)61-39(55)31(52)30(26-19-15-16-20-48-26)49-40(56)66-43(3,4)5/h12-20,27-28,30-34,36-37,52H,21-22H2,1-11H3,(H,49,56)/t27-,28+,30-,31+,32+,33+,34-,36-,37-,45+,46-,47+/m0/s1

InChI Key

FWZHHMAVFQEEMW-QCBQWPGPSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=N6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC)C)OC(=O)N(C)C

别名

• CHEMBL3098561
• SCHEMBL18098760