化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-12-(dimethylcarbamoyloxy)-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-(dimethylcarbamoyloxy)-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/C46H60N2O16/c1-11-12-14-19-30(51)47-27(20-23(2)3)32(52)40(55)59-33-24(4)31-34(60-41(56)48(9)10)36(53)44(8)28(50)21-29-45(22-58-29,63-25(5)49)35(44)38(61-39(54)26-17-15-13-16-18-26)46(43(31,6)7)37(33)62-42(57)64-46/h13,15-18,20,27-29,32-35,37-38,50,52H,11-12,14,19,21-22H2,1-10H3,(H,47,51)/t27-,28-,29+,32+,33+,34+,35-,37-,38-,44+,45-,46+/m0/s1

InChI Key

NNGMCKKWNGDWIU-JQAYEQBKSA-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)OC(=O)C6=CC=CC=C6)OC(=O)O2)O

别名

• CHEMBL1096578