化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-9-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]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,9S,10S,12R,15R,16S)-4-acetyloxy-9-(dimethylcarbamoyloxy)-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]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/C46H62N2O17/c1-22(2)19-26(47-39(54)64-42(5,6)7)30(50)38(53)60-31-23(3)29-32(57-13)34(51)44(10)27(59-40(55)48(11)12)20-28-45(21-58-28,63-24(4)49)33(44)36(61-37(52)25-17-15-14-16-18-25)46(43(29,8)9)35(31)62-41(56)65-46/h14-18,22,26-28,30-33,35-36,50H,19-21H2,1-13H3,(H,47,54)/t26-,27-,28+,30+,31+,32+,33-,35-,36-,44+,45-,46+/m0/s1

InChI Key

WVAHPXJQZYFYSI-QNAQGPDFSA-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(=O)N(C)C)C)OC

别名

• CHEMBL3098566
• SCHEMBL16748463