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)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]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)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]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/C44H59NO16/c1-21(2)18-25(45-38(51)60-40(5,6)7)29(47)37(50)56-30-22(3)28-31(54-12)33(48)42(10)26(53-11)19-27-43(20-55-27,59-23(4)46)32(42)35(57-36(49)24-16-14-13-15-17-24)44(41(28,8)9)34(30)58-39(52)61-44/h13-17,21,25-27,29-32,34-35,47H,18-20H2,1-12H3,(H,45,51)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1

InChI Key

QIXHMNCRBYSZPM-ZQRPHVBESA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC

别名

• CHEMBL3098557
• SCHEMBL16748662