o(LA)8-PTX

Product Specifications

Synonyms

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-9-[(2R)-2-[2-[2-[2-[2-[2-[2-(2-hydroxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Hazard Statement

No Data Available

Smiles

CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)O[C@H](C)C(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)C)C(=O)[C@]13C)C5(C)C)C

Molecular Formula

C71 H83 N O30

Molecular Weight

1430.407

InChI

InChI=1S/C71H83NO30/c1-33-47(99-67(88)52(76)51(44-24-18-15-19-25-44)72-57(78)45-26-20-16-21-27-45)31-71(89)56(101-66(87)46-28-22-17-23-29-46)54-69(14,55(77)53(98-42(10)74)50(33)68(71,12)13)48(30-49-70(54,32-90-49)102-43(11)75)100-65(86)41(9)97-64(85)40(8)96-63(84)39(7)95-62(83)38(6)94-61(82)37(5)93-60(81)36(4)92-59(80)35(3)91-58(79)34(2)73/h15-29,34-41,47-49,51-54,56,73,76,89H,30-32H2,1-14H3,(H,72,78)/t34?,35?,36?,37?,38?,39?,40?,41-,47+,48+,49-,51+,52-,53-,54+,56+,69-,70+,71-/m1/s1

Additionnal Information

IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-9-[(2R)-2-[2-[2-[2-[2-[2-[2-(2-hydroxypropanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyloxy]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate