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-phenylpropanoyl]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-phenylpropanoyl]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/C48H58N2O17/c1-24-30-34(62-42(57)50(9)10)36(53)46(8)28(59-11)22-29-47(23-60-29,65-25(2)51)35(46)38(63-39(54)27-20-16-13-17-21-27)48(45(30,6)7)37(64-43(58)67-48)33(24)61-40(55)32(52)31(26-18-14-12-15-19-26)49-41(56)66-44(3,4)5/h12-21,28-29,31-35,37-38,52H,22-23H2,1-11H3,(H,49,56)/t28-,29+,31-,32+,33+,34+,35-,37-,38-,46+,47-,48+/m0/s1

InChI Key

LDMYVUVPUGUSHR-IKNIDKHFSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=C6)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

• CHEMBL3098560
• SCHEMBL16748544
• (2R,3S)-2-Hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropanoic acid 1,14beta-(carbonylbisoxy)-2alpha-(benzoyloxy)-4-acetoxy-5beta,20-epoxy-7beta-methoxy-9-oxo-10beta-(dimethylcarbamoyloxy)taxa-11-ene-13alpha-yl ester