Baccatin III

CAS: 27548-93-2

Ref. TR-B101000

Product Information

• Name: Baccatin III
• Synonyms: (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, NSC 330753,7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-, 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-
• Brand: TRC
• Description: Impurity Paclitaxel - Impurity NApplications A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species. Paclitaxel - Impurity N.References Katkovcinova, Z., et al.: J. Biosci., 63, 721 (2008), Tian, J., et al.: J. Pharm. Sci., 97, 3100 (2008), Miao, Z., et al.: App. Biochem. Microbiol., 45, 81 (2009),

Chemical properties

• Molecular weight: 586.63
• Formula: C₃₁H₃₈O₁₁
• Color/Form: Neat
• InChI: InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
• InChI key: InChIKey=OVMSOCFBDVBLFW-VMZBTMDNSA-N
• SMILES: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)C2(O)C[C@H](O)C(C)=C1C2(C)C