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)-3-(2,2-二甲基丙酰氨基)-2-羟基-5-甲基-4-enoyl]氧基-9-羟基-12-methoxycarbonyloxy-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)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-5-methylhex-4-enoyl]oxy-9-hydroxy-12-methoxycarbonyloxy-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/C44H55NO17/c1-20(2)17-24(45-37(52)40(5,6)7)28(48)36(51)57-29-21(3)27-30(58-38(53)55-11)32(49)42(10)25(47)18-26-43(19-56-26,61-22(4)46)31(42)34(59-35(50)23-15-13-12-14-16-23)44(41(27,8)9)33(29)60-39(54)62-44/h12-17,24-26,28-31,33-34,47-48H,18-19H2,1-11H3,(H,45,52)/t24-,25-,26+,28+,29+,30+,31-,33-,34-,42+,43-,44+/m0/s1

InChI Key

UBIDAAIEPYDUKF-GPIZQVMESA-N

Canonical SMILES

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

别名

• CHEMBL1096574