化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,10R,12R,15R,16S)-4-乙酰氧基-15-[(2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-phenylpropanoyl]氧基-12-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,10R,12R,15R,16S)-4-acetyloxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-12-methoxy-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/C45H53NO15/c1-23-28-32(54-9)34(49)43(8)21-20-27-44(22-55-27,59-24(2)47)33(43)36(57-37(50)26-18-14-11-15-19-26)45(42(28,6)7)35(58-40(53)61-45)31(23)56-38(51)30(48)29(25-16-12-10-13-17-25)46-39(52)60-41(3,4)5/h10-19,27,29-33,35-36,48H,20-22H2,1-9H3,(H,46,52)/t27-,29+,30-,31-,32-,33+,35+,36+,43-,44+,45-/m1/s1

InChI Key

VIPOBTLDVKYOHC-DYMNKSSESA-N

Canonical SMILES

CC1=C2C(C(=O)C3(CCC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)C)OC

别名

• CHEMBL3098558
• SCHEMBL16748660