化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-15-[(2R,3S)-3-(dimethylcarbamoylamino)-2-羟基-3-phenylpropanoyl]氧基-12-甲氧基-9-methoxycarbonyloxy-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-15-[(2R,3S)-3-(dimethylcarbamoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-12-methoxy-9-methoxycarbonyloxy-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/C45H52N2O17/c1-22-28-32(56-8)34(50)43(5)26(59-40(54)57-9)20-27-44(21-58-27,63-23(2)48)33(43)36(61-37(51)25-18-14-11-15-19-25)45(42(28,3)4)35(62-41(55)64-45)31(22)60-38(52)30(49)29(46-39(53)47(6)7)24-16-12-10-13-17-24/h10-19,26-27,29-33,35-36,49H,20-21H2,1-9H3,(H,46,53)/t26-,27+,29-,30+,31+,32+,33-,35-,36-,43+,44-,45+/m0/s1

InChI Key

IQDWSJMWGOJXSZ-VETPAINASA-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)N(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OC)C)OC

别名

• SCHEMBL16748539