化学式

CAS号

IUPAC Name

[(1S,2S,3S,6R,8S,9S,11R,15R)-11,20-二乙酰-8-羟基-14-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-9,13,15,19,19-五甲基-10,17-二氧代-5,16,18-trioxapentacyclo[10.6.1.14,6.01,15.03,9]icosan-2-基]苯甲酸 [(1S,2S,3S,6R,8S,9S,11R,15R)-11,20-diacetyloxy-8-hydroxy-14-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-9,13,15,19,19-pentamethyl-10,17-dioxo-5,16,18-trioxapentacyclo[10.6.1.14,6.01,15.03,9]icosan-2-yl] benzoate

InChI

InChI=1S/C45H61NO17/c1-20(2)18-25(46-39(54)61-41(6,7)8)30(50)38(53)59-35-21(3)28-33(57-23(5)48)34(51)43(11)27(49)19-26-31(56-22(4)47)32(58-26)29(43)36(60-37(52)24-16-14-13-15-17-24)45(42(28,9)10)44(35,12)62-40(55)63-45/h13-17,20-21,25-33,35-36,49-50H,18-19H2,1-12H3,(H,46,54)/t21?,25-,26+,27-,28?,29-,30+,31?,32?,33+,35?,36-,43+,44+,45+/m0/s1

InChI Key

AUEAZPIBRWUBLJ-QCMWTHAMSA-N

Canonical SMILES

CC1C2C(C(=O)C3(C(CC4C(C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)(OC(=O)O5)C)OC(=O)C6=CC=CC=C6)O4)OC(=O)C)O)C)OC(=O)C

别名