化学式

CAS号

IUPAC Name

[(1S,5S,6R,7S,10R,12S,13S,15R,18S)-15-乙酰氧基-7-羟基-13,17,20,20-四甲基-3,9,9,14-tetraoxo-12-triethylsilyloxy-2,4-二氧杂-9λ6-thiapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-烯-18-基](2R,3S)-3-苯甲酰基氨基-2-[叔-丁基(二甲基)silyl]氧基-3-苯基丙 [(1S,5S,6R,7S,10R,12S,13S,15R,18S)-15-acetyloxy-7-hydroxy-13,17,20,20-tetramethyl-3,9,9,14-tetraoxo-12-triethylsilyloxy-2,4-dioxa-9λ6-thiapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-en-18-yl] (2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

InChI

InChI=1S/C51H71NO14SSi2/c1-14-69(15-2,16-3)65-35-27-36-50(58,29-67(36,59)60)41-43-51(64-46(57)63-43)28-34(30(4)37(48(51,9)10)39(61-31(5)53)42(54)49(35,41)11)62-45(56)40(66-68(12,13)47(6,7)8)38(32-23-19-17-20-24-32)52-44(55)33-25-21-18-22-26-33/h17-26,34-36,38-41,43,58H,14-16,27-29H2,1-13H3,(H,52,55)/t34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1

InChI Key

RDRVSBGZRQLMRB-CEPOORRRSA-N

Canonical SMILES

CC[Si](CC)(CC)OC1CC2C(CS2(=O)=O)(C3C1(C(=O)C(C4=C(C(CC5(C3OC(=O)O5)C4(C)C)OC(=O)C(C(C6=CC=CC=C6)NC(=O)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)C)OC(=O)C)C)O

别名

• (2R,3S)-2-(tert-Butyldimethylsilyloxy)-3-(benzoylamino)-3-phenylpropionic acid (3alpha)-1,2alpha-(carbonylbisoxy)-4-hydroxy-5beta,20-sulfonyl-7beta-(triethylsilyloxy)-9-oxo-10beta-acetoxytaxa-11-ene-13alpha-yl ester