化学式

CAS号

IUPAC Name

(3aR,4R,6R,8R,9R,10R,12S,15S,15aR)-9-[(2S,3R,4S,5S,6R)-5-(4-benzyltriazol-1-基)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-15-乙基-8-甲氧基-4,6,8,10,12,15a-六甲基-3a,4,6,7,9,10,14,15-octahydrocyclotetradeca[d][1,3]间二氧杂环戊烯-2,5,11,13-四酮 (3aR,4R,6R,8R,9R,10R,12S,15S,15aR)-9-[(2S,3R,4S,5S,6R)-5-(4-benzyltriazol-1-yl)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-15-ethyl-8-methoxy-4,6,8,10,12,15a-hexamethyl-3a,4,6,7,9,10,14,15-octahydrocyclotetradeca[d][1,3]dioxole-2,5,11,13-tetrone

InChI

InChI=1S/C41H60N4O10/c1-12-28-19-30(46)23(3)34(48)25(5)36(40(7,51-11)20-22(2)33(47)24(4)37-41(28,8)55-39(50)54-37)53-38-35(49)32(44(9)10)31(26(6)52-38)45-21-29(42-43-45)18-27-16-14-13-15-17-27/h13-17,21-26,28,31-32,35-38,49H,12,18-20H2,1-11H3/t22-,23+,24+,25+,26-,28+,31-,32+,35-,36-,37-,38+,40-,41-/m1/s1

InChI Key

NLERQPNXWAEEBQ-DWOMOPSGSA-N

Canonical SMILES

CCC1CC(=O)C(C(=O)C(C(C(CC(C(=O)C(C2C1(OC(=O)O2)C)C)C)(C)OC)OC3C(C(C(C(O3)C)N4C=C(N=N4)CC5=CC=CC=C5)N(C)C)O)C)C

别名

• (1R,2R,4R,6R,7R,8R,10S,13S,14R)-7-[[(2S)-3alpha-Hydroxy-4beta-(dimethylamino)-5alpha-(4-benzyl-1H-1,2,3-triazole-1-yl)-6beta-methyl-tetrahydro-2H-pyran-2beta-yl]oxy]-6-methoxy-13-ethyl-2,4,6,8,10,14-hexamethyl-15,17-dioxabicyclo[12.3.0]heptadecane-3,9,11,16-tetraone