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-吡啶-2-ylpropanoyl]氧基-9,12-二甲氧基-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-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoyl]oxy-9,12-dimethoxy-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/C45H54N2O16/c1-22-28-32(56-10)34(50)43(8)26(55-9)20-27-44(21-57-27,61-23(2)48)33(43)36(59-37(51)24-16-12-11-13-17-24)45(42(28,6)7)35(60-40(54)63-45)31(22)58-38(52)30(49)29(25-18-14-15-19-46-25)47-39(53)62-41(3,4)5/h11-19,26-27,29-33,35-36,49H,20-21H2,1-10H3,(H,47,53)/t26-,27+,29-,30+,31+,32+,33-,35-,36-,43+,44-,45+/m0/s1

InChI Key

MMIPBYYFZQOYPO-VETPAINASA-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

别名

• CHEMBL3098556
• SCHEMBL16748465