化学式

CAS号

IUPAC Name

[(1R,2R,5R,6S,7S,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-2-乙基-9-甲氧基-1,5,7,9,11,13-六甲基-12-[3-(6-硝基吡啶-3-基)丙-2-ynoxyimino]-4,16-二氧代-3,15,17-trioxabicyclo[12.3.0]十七烷-6-基]2-吡啶-2-乙酸乙酯 [(1R,2R,5R,6S,7S,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-12-[3-(6-nitropyridin-3-yl)prop-2-ynoxyimino]-4,16-dioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] 2-pyridin-2-ylacetate

InChI

InChI=1S/C46H63N5O14/c1-12-34-46(8)41(64-44(55)65-46)28(4)37(49-59-21-15-16-31-18-19-35(48-25-31)51(56)57)26(2)24-45(7,58-11)40(63-43-38(53)33(50(9)10)22-27(3)60-43)29(5)39(30(6)42(54)61-34)62-36(52)23-32-17-13-14-20-47-32/h13-14,17-20,25-30,33-34,38-41,43,53H,12,21-24H2,1-11H3/b49-37+/t26-,27-,28+,29+,30-,33+,34-,38-,39+,40-,41-,43+,45-,46-/m1/s1

InChI Key

CKHSSMCNPXJWNV-LVTYIZECSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC#CC3=CN=C(C=C3)[N+](=O)[O-])C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC4=CC=CC=N4)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

别名

• CHEMBL3612623