化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,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-14,20,20-三甲基-11,18-二氧代-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,12R,15R,16S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9,12-dimethoxy-14,20,20-trimethyl-11,18-dioxo-17,19-dioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C48H51NO14/c1-25-33-39(58-6)36(51)32-31(57-5)24-30-22-23-47(30,62-26(2)50)34(32)40(60-43(54)29-20-14-9-15-21-29)48(46(33,3)4)41(61-45(56)63-48)38(25)59-44(55)37(52)35(27-16-10-7-11-17-27)49-42(53)28-18-12-8-13-19-28/h7-21,30-32,34-35,37-41,52H,22-24H2,1-6H3,(H,49,53)/t30-,31+,32?,34-,35+,37-,38-,39-,40+,41+,47+,48+/m1/s1

InChI Key

OHZPRUIACYDTQC-LHZFWARDSA-N

Canonical SMILES

CC1=C2C(C(=O)C3C(CC4CCC4(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)OC(=O)C)OC)OC

别名

• SCHEMBL18251613