化学式

CAS号

IUPAC Name

[(1S,2S,3R,4R,7R,9S,10S,12R,15R,16S)-12-乙酰氧基-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-4-(2-氧代丙基)-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-烯-2-基]苯甲酸 [(1S,2S,3R,4R,7R,9S,10S,12R,15R,16S)-12-acetyloxy-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-4-(2-oxopropyl)-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C45H59NO16/c1-21(2)17-26(46-39(54)61-41(6,7)8)30(50)38(53)58-31-23(4)29-32(57-24(5)48)34(51)43(11)27(49)18-28-44(20-56-28,19-22(3)47)33(43)36(59-37(52)25-15-13-12-14-16-25)45(42(29,9)10)35(31)60-40(55)62-45/h12-16,21,26-28,30-33,35-36,49-50H,17-20H2,1-11H3,(H,46,54)/t26-,27-,28+,30+,31+,32+,33-,35-,36-,43+,44+,45+/m0/s1

InChI Key

AITDVCKRPJBHSY-DCBJPCGBSA-N

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)CC(=O)C)O)C)OC(=O)C

别名

• SCHEMBL14392838