化学式

CAS号

IUPAC Name

[(1S,2S,4S,9S,10S,12R,15R,16S)-4-乙酰氧基-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-2-苯氧基-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-12-基]环丙甲酸基酯 [(1S,2S,4S,9S,10S,12R,15R,16S)-4-acetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-5-methylhex-4-enoyl]oxy-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-12-yl] cyclopropanecarboxylate

InChI

InChI=1S/C46H59NO15/c1-9-10-12-17-31(50)47-28(20-23(2)3)33(51)41(54)58-34-24(4)32-35(59-40(53)26-18-19-26)37(52)44(8)29(49)21-30-45(22-56-30,61-25(5)48)36(44)39(57-27-15-13-11-14-16-27)46(43(32,6)7)38(34)60-42(55)62-46/h11,13-16,20,26,28-30,33-36,38-39,49,51H,9-10,12,17-19,21-22H2,1-8H3,(H,47,50)/t28-,29-,30?,33+,34+,35+,36?,38-,39-,44+,45-,46+/m0/s1

InChI Key

HXXNRDJIHZBUSS-DRKLXBPQSA-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)OC7=CC=CC=C7)OC(=O)O2)O

别名

• CHEMBL327537