化学式

CAS号

IUPAC Name

[(1S,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-9-羟基-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]己-4-enoyl]氧基-10,14,20,20-四甲基-11,18-二氧代-12-propanoyloxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-12-propanoyloxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C45H57NO17/c1-12-28(49)57-32-29-22(4)31(58-38(53)30(50)25(18-21(2)3)46-39(54)62-41(6,7)8)35-45(42(29,9)10,63-40(55)60-35)36(59-37(52)24-16-14-13-15-17-24)33-43(11,34(32)51)26(48)19-27-44(33,20-56-27)61-23(5)47/h13-18,25-27,30-33,35-36,48,50H,12,19-20H2,1-11H3,(H,46,54)/t25-,26-,27+,30+,31+,32+,33?,35-,36?,43+,44-,45+/m0/s1

InChI Key

LVWBARNVYDFCAU-DHRXEKEMSA-N

Canonical SMILES

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

别名