7-epi-Cephalomannine

CAS: 150547-36-7

Ref. TR-C258515

Informação sobre produto

• Nome: 7-epi-Cephalomannine
• Sinónimos: Benzenepropanoic acid, a-hydroxy-ß-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ßS)-, Benzenepropanoic acid, a-hydroxy-ß-[(2-methyl-1-oxo-2-butenyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4a,4aß,6ß,9a[aR*,ßS*(E)],11a,12a,12aa,12ba]]-, Benzenepropanoic acid, a-hydroxy-ß-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ßS)- (9CI), 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv., 7-Epicephalomannine, Paclitaxel Imp D (EP)

Descrição

Impurity Paclitaxel - Impurity D
Applications The C-7 epimer of the taxane Cephalomannine (C258500) isolated from Taxus x media cv. 'Hicksii' needles. Paclitaxel - Impurity D
References Stenken, J., et al.: J. Pharm. Sci., 86, 958 (1997), Kobayashi, J., et al.: Bioorg. Med. Chem. Lett., 8, 1555 (1998), Andreu, J., et al.: Biochemistry, 40, 11975 (2001), Markman, M., et al.: J. Clin. Oncol., 24, 988 (2006),

• Marca: TRC

Propriedades químicas

• Peso molecular: 831.90
• Fórmula: C₄₅H₅₃NO₁₄
• Cor/forma: White
• InChI: InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
• Chave InChI: InChIKey=DBXFAPJCZABTDR-DBVZQHIHSA-N
• SMILES: C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C