化学式

CAS号

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-乙酰氧基-9,12-二羟基-15-[(E,2R,3S)-2-羟基-3-[(2-甲基-2-基)oxycarbonylamino]己-4-enoyl]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-13-烯-2-基]苯甲酸 [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4-acetyloxy-9,12-dihydroxy-15-[(E,2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,20,20-tetramethyl-11,18-dioxo-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate

InChI

InChI=1S/C41H51NO16/c1-10-14-22(42-35(50)57-37(4,5)6)26(45)34(49)53-28-19(2)25-27(46)30(47)39(9)23(44)17-24-40(18-52-24,56-20(3)43)29(39)32(54-33(48)21-15-12-11-13-16-21)41(38(25,7)8)31(28)55-36(51)58-41/h10-16,22-24,26-29,31-32,44-46H,17-18H2,1-9H3,(H,42,50)/b14-10+/t22-,23-,24+,26+,27+,28+,29-,31-,32-,39+,40-,41+/m0/s1

InChI Key

BMNMYMFCYSJWIV-KOVPEOFKSA-N

Canonical SMILES

CC=CC(C(C(=O)OC1C2C3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C1C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)O2)O)NC(=O)OC(C)(C)C

别名

• (2R,3S,4E)-3-(tert-Butoxycarbonylamino)-2-hydroxy-4-hexenoic acid [(2aR,11S)-12bbeta-(acetyloxy)-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4alpha,6alpha-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-10alpha,11-(carbonylbisoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet]-9beta-yl ester