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-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,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-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C47H49NO15/c1-24-32-38(57-6)35(50)31-29(56-5)22-30-46(23-58-30,62-25(2)49)33(31)39(60-42(53)28-20-14-9-15-21-28)47(45(32,3)4)40(61-44(55)63-47)37(24)59-43(54)36(51)34(26-16-10-7-11-17-26)48-41(52)27-18-12-8-13-19-27/h7-21,29-31,33-34,36-40,51H,22-23H2,1-6H3,(H,48,52)/t29-,30+,31?,33+,34-,36+,37+,38+,39-,40-,46-,47-/m0/s1

InChI Key

KDMHNFBFLKWNPJ-LYKHHICSSA-N

Canonical SMILES

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

别名

• SCHEMBL18253548