化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-[(E)-丁-2-enoyl]氧基-15-[(2R,3S)-3-(2,2-二甲基丙酰氨基)-2-羟基-5-甲基-4-enoyl]氧基-9-羟基-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-12-[(E)-but-2-enoyl]oxy-15-[(2R,3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-5-methylhex-4-enoyl]oxy-9-hydroxy-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/C46H57NO16/c1-12-16-29(50)58-33-30-23(4)32(59-39(54)31(51)26(19-22(2)3)47-40(55)42(6,7)8)36-46(43(30,9)10,63-41(56)61-36)37(60-38(53)25-17-14-13-15-18-25)34-44(11,35(33)52)27(49)20-28-45(34,21-57-28)62-24(5)48/h12-19,26-28,31-34,36-37,49,51H,20-21H2,1-11H3,(H,47,55)/b16-12+/t26-,27-,28+,31+,32+,33+,34-,36-,37-,44+,45-,46+/m0/s1

InChI Key

HBALAYICMKAUNV-GGWYZBGNSA-N

Canonical SMILES

CC=CC(=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)C(C)(C)C)O)C

别名

• CHEMBL1096573