化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15R,16S)-4-乙酰氧基-9,11,12-三羟基-15-[(2R,3R)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]-3-噻吩-2-ylpropanoyl]氧基-10,14,20,20-四甲基-18-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,11S,12R,15R,16S)-4-acetyloxy-9,11,12-trihydroxy-15-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoyl]oxy-10,14,20,20-tetramethyl-18-oxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C42H51NO16S/c1-19-25-27(46)31(48)40(8)23(45)17-24-41(18-53-24,57-20(2)44)30(40)33(55-34(49)21-13-10-9-11-14-21)42(39(25,6)7)32(56-37(52)59-42)29(19)54-35(50)28(47)26(22-15-12-16-60-22)43-36(51)58-38(3,4)5/h9-16,23-24,26-33,45-48H,17-18H2,1-8H3,(H,43,51)/t23-,24+,26-,27+,28+,29+,30-,31+,32-,33-,40+,41-,42+/m0/s1

InChI Key

SAQCFKFWMNDGPY-FWKBONPFSA-N

Canonical SMILES

CC1=C2C(C(C3(C(CC4C(C3C(C5(C2(C)C)C(C1OC(=O)C(C(C6=CC=CS6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O)O

别名