7-epi-10-Deacetyl Baccatin III

CAS: 71629-92-0

Ref. TR-D198260

Product Information

• Name: 7-epi-10-Deacetyl Baccatin III
• Synonyms: 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-, 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, [2aR-(2aα,4α,4aβ,6β,9α,11α,12α,12aα,12bα)]-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 10-Deacetylbaccatin V, 7-Epi-10-deacetylbaccatin III, 7-epi-10-Deacetylbaccatin III
• Brand: TRC

Description

Applications 17-epi-10-Deacetyl Baccatin III is an impurity of Paclitaxel (P132500) and derivatives.
References Hu, S., et al.: Biocatal. Biotransform., 14, 241 (1997), Sun, D., et al.: Bioorg. Med. Chem., 9, 1985 (2001),

Chemical properties

• Molecular weight: 544.59
• Formula: C₂₉H₃₆O₁₀
• Color/Form: Neat
• InChI: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19+,21+,22-,24-,27+,28-,29+/m0/s1
• InChI key: InChIKey=YWLXLRUDGLRYDR-LUPIKGFISA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C