化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(cyclopropanecarbonyloxy)-15-[(2R,3S)-3-(hexanoylamino)-2-羟基-5-甲基-4-enoyl]氧基-9-羟基-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-12-(cyclopropanecarbonyloxy)-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-5-methylhex-4-enoyl]oxy-9-hydroxy-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/C47H59NO16/c1-9-10-12-17-31(51)48-28(20-23(2)3)33(52)42(56)59-34-24(4)32-35(60-40(54)27-18-19-27)37(53)45(8)29(50)21-30-46(22-58-30,63-25(5)49)36(45)39(61-41(55)26-15-13-11-14-16-26)47(44(32,6)7)38(34)62-43(57)64-47/h11,13-16,20,27-30,33-36,38-39,50,52H,9-10,12,17-19,21-22H2,1-8H3,(H,48,51)/t28-,29-,30+,33+,34+,35+,36-,38-,39-,45+,46-,47+/m0/s1

InChI Key

YQMUGNFYGONNAH-VFCZUFMXSA-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)C6CC6)C)OC(=O)C7=CC=CC=C7)OC(=O)O2)O

别名

• CHEMBL1096577