Baccatin VI

CAS: 57672-79-4

Ref. TR-B101030

Product Information

• Name: Baccatin VI
• Synonyms: 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12b-pentaacetate 12-benzoate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12b-pentaacetate 12-benzoate, [2aR-(2aα,4β,4aβ,5α,6β,9α,11α,12α,12aα,12bα)]-
• Brand: TRC
• Description: Applications A taxane derivative, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species.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: 714.75
• Formula: C₃₇H₄₆O₁₄
• Color/Form: Neat
• InChI: InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37+/m0/s1
• InChI key: InChIKey=UJFKTEIDORFVQS-SKNQRQHZSA-N
• SMILES: CC(=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](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C