化学式

CAS号

IUPAC Name

[(1S,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-[(E)-丁-2-enoyl]氧基-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,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-12-[(E)-but-2-enoyl]oxy-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/c1-10-12-14-20-31(51)48-28(21-24(3)4)34(53)42(56)60-35-25(5)33-36(59-32(52)17-11-2)38(54)45(9)29(50)22-30-46(23-58-30,63-26(6)49)37(45)40(61-41(55)27-18-15-13-16-19-27)47(44(33,7)8)39(35)62-43(57)64-47/h11,13,15-19,21,28-30,34-37,39-40,50,53H,10,12,14,20,22-23H2,1-9H3,(H,48,51)/b17-11+/t28-,29-,30+,34+,35+,36+,37?,39-,40?,45+,46-,47+/m0/s1

InChI Key

PWXSNMHFRZLFGO-KVJOWPBKSA-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)C=CC)C)OC(=O)C6=CC=CC=C6)OC(=O)O2)O

别名