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-12-甲氧基-9-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)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-12-methoxy-9-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/C45H59NO18/c1-21(2)18-25(46-38(52)63-41(5,6)7)29(48)37(51)59-30-22(3)28-31(55-11)33(49)43(10)26(58-39(53)56-12)19-27-44(20-57-27,62-23(4)47)32(43)35(60-36(50)24-16-14-13-15-17-24)45(42(28,8)9)34(30)61-40(54)64-45/h13-17,21,25-27,29-32,34-35,48H,18-20H2,1-12H3,(H,46,52)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,43+,44-,45+/m0/s1

InChI Key

BPHLOHMVUUKXFL-IRFJXNLFSA-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)OC)C)OC

别名

• CHEMBL3098568
• SCHEMBL16748538