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-苯甲酰基氨基-2-羟基-3-phenylpropanoyl]氧基-9,12-二甲氧基-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-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9,12-dimethoxy-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/C48H51NO15/c1-25-32-36(58-7)38(52)46(5)30(57-6)23-31-47(24-59-31,63-26(2)50)37(46)40(61-42(54)29-21-15-10-16-22-29)48(45(32,3)4)39(62-44(56)64-48)35(25)60-43(55)34(51)33(27-17-11-8-12-18-27)49-41(53)28-19-13-9-14-20-28/h8-22,30-31,33-37,39-40,51H,23-24H2,1-7H3,(H,49,53)/t30-,31+,33-,34+,35+,36+,37-,39-,40-,46+,47-,48+/m0/s1

InChI Key

MLKPYCHOESOSAO-MLHGZDDQSA-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)C7=CC=CC=C7)O)OC(=O)O5)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)OC)C)OC

别名

• CHEMBL3098554
• SCHEMBL16748523