化学式

CAS号

IUPAC Name

[(1S,2S,4S,7R,9R,10S,12R,14R,16R,17S)-4,12-二乙酰-9-羟基-16-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-10,14-二甲基-11,19-二氧代-6,18,20-trioxahexacyclo[12.6.0.01,17.03,10.04,7.013,15]icos-13(15)-烯-2-基]苯甲酸 [(1S,2S,4S,7R,9R,10S,12R,14R,16R,17S)-4,12-diacetyloxy-9-hydroxy-16-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14-dimethyl-11,19-dioxo-6,18,20-trioxahexacyclo[12.6.0.01,17.03,10.04,7.013,15]icos-13(15)-en-2-yl] benzoate

InChI

InChI=1S/C42H51NO17/c1-18(2)15-22(43-36(51)59-38(5,6)7)27(47)35(50)55-29-26-25-28(54-19(3)44)31(48)39(8)23(46)16-24-41(17-53-24,58-20(4)45)30(39)33(56-34(49)21-13-11-10-12-14-21)42(40(25,26)9)32(29)57-37(52)60-42/h10-14,18,22-24,27-30,32-33,46-47H,15-17H2,1-9H3,(H,43,51)/t22-,23+,24+,27+,28+,29+,30?,32-,33-,39+,40-,41-,42+/m0/s1

InChI Key

ZORMEZGVBHKTHH-RROKQWMBSA-N

Canonical SMILES

CC(C)CC(C(C(=O)OC1C2C3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C6=C1C63C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)OC(=O)O2)O)NC(=O)OC(C)(C)C

别名

• SCHEMBL13689279