化学式

CAS号

IUPAC Name

[(2S,3R,4S,6R)-4-(二甲基氨基)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-乙基-9-甲氧基-1,5,7,9,11,13-六甲基-4,6,16-三氧代-12-[3-(5-吡啶-2-基噻吩-2-基)丙-2-ynoxyimino]-3,15,17-trioxabicyclo[12.3.0]十七烷-8-基]氧基]-6-methyloxan-3-基]乙酸酯 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-[3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynoxyimino]-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate

InChI

InChI=1S/C45H61N3O12S/c1-13-35-45(9)40(59-43(52)60-45)27(4)36(47-54-22-16-17-31-19-20-34(61-31)32-18-14-15-21-46-32)25(2)24-44(8,53-12)39(28(5)37(50)29(6)41(51)57-35)58-42-38(56-30(7)49)33(48(10)11)23-26(3)55-42/h14-15,18-21,25-29,33,35,38-40,42H,13,22-24H2,1-12H3/b47-36+/t25-,26-,27+,28+,29-,33+,35-,38-,39-,40-,42+,44-,45-/m1/s1

InChI Key

JKHGABBXNSIGLE-JGWMORETSA-N

Canonical SMILES

CCC1C2(C(C(C(=NOCC#CC3=CC=C(S3)C4=CC=CC=N4)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC5C(C(CC(O5)C)N(C)C)OC(=O)C)(C)OC)C)C)OC(=O)O2)C

别名