化学式

CAS号

IUPAC Name

[(1S,2S,4S,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(dimethylcarbamoyloxy)-9-羟基-10,14,20,20-四甲基-11,18-二氧代-2-苯氧基-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-15-基](2R,3S)-3-(hexanoylamino)-2-羟基-5-甲基-4-烯酸酯 [(1S,2S,4S,9S,10S,12R,15R,16S)-4-acetyloxy-12-(dimethylcarbamoyloxy)-9-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-2-phenoxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-15-yl] (2R,3S)-3-(hexanoylamino)-2-hydroxy-5-methylhex-4-enoate

InChI

InChI=1S/C45H60N2O15/c1-11-12-14-19-30(50)46-27(20-23(2)3)32(51)39(53)58-33-24(4)31-34(59-40(54)47(9)10)36(52)43(8)28(49)21-29-44(22-56-29,61-25(5)48)35(43)38(57-26-17-15-13-16-18-26)45(42(31,6)7)37(33)60-41(55)62-45/h13,15-18,20,27-29,32-35,37-38,49,51H,11-12,14,19,21-22H2,1-10H3,(H,46,50)/t27-,28-,29?,32+,33+,34+,35?,37-,38-,43+,44-,45+/m0/s1

InChI Key

JFBLXMXVNGUNOG-MYKUDTPBSA-N

Canonical SMILES

CCCCCC(=O)NC(C=C(C)C)C(C(=O)OC1C2C3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C1C)C3(C)C)OC(=O)N(C)C)C)OC6=CC=CC=C6)OC(=O)O2)O

别名

• CHEMBL92518