化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,15R,16S)-4,12-二乙酰-9-羟基-15-[(2R,3S)-2-羟基-5-甲基-3-[(2-甲基-2-基)oxycarbonylamino]hexanoyl]氧基-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-12-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,15R,16S)-4,12-diacetyloxy-9-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-12-en-2-yl] benzoate

InChI

InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20-21,25-27,29-30,32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t21?,25-,26-,27+,29+,30+,32-,34-,35-,42+,43-,44+/m0/s1

InChI Key

WLMLBPXCIMUMPA-AERNFXNXSA-N

Canonical SMILES

CC1C(C2C3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(=C1C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)O2)OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O

别名