化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-ethylsulfanylcarbonyloxy-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-ethylsulfanylcarbonyloxy-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/C48H57NO17S/c1-11-67-43(57)61-34-30-24(2)33(60-40(54)32(51)31(26-18-14-12-15-19-26)49-41(55)65-44(4,5)6)37-48(45(30,7)8,66-42(56)63-37)38(62-39(53)27-20-16-13-17-21-27)35-46(9,36(34)52)28(58-10)22-29-47(35,23-59-29)64-25(3)50/h12-21,28-29,31-35,37-38,51H,11,22-23H2,1-10H3,(H,49,55)/t28-,29+,31-,32+,33+,34+,35-,37-,38-,46+,47-,48+/m0/s1

InChI Key

NXMFSWNTFLBHRM-IKNIDKHFSA-N

Canonical SMILES

CCSC(=O)OC1C2=C(C(C3C(C2(C)C)(C(C4C(C1=O)(C(CC5C4(CO5)OC(=O)C)OC)C)OC(=O)C6=CC=CC=C6)OC(=O)O3)OC(=O)C(C(C7=CC=CC=C7)NC(=O)OC(C)(C)C)O)C

别名

• SCHEMBL16748461