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7-Epi 10-Desacetyl Paclitaxel

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For Research Use Only | Not For Clinical Use
CATAPS78454178
CAS78454-17-8
Structure
Synonyms7-epi-10-Deacetylpaclitaxel, Ormosin V, 10-Desacetyl-7-epipaclitaxel, Paclitaxel Imp H (EP), 10-Deacetyl-7-epi-taxol, 7-epi-10-Deacetyltaxol,Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, 7-Epi-10-deacetyltaxol, 10-Deacetyl-7-epitaxol, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv., 10-Deacetyl-7-epipaclitaxel, 10-Deacetyl-7-epi-paclitaxel
Molecular Weight811.87
Molecular FormulaC45H49NO13
Canonical SMILESCC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[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](O)C3=O)C5(C)C)C
InChIInChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
Accurate Mass811.3204
FormatNeat
TypeImpurity
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