Taxine (mixture of Taxine B and iso-Taxine B) (~80%)

CAS: 1361-51-9 172617-92-4

Ref. TR-T100085

Produktinformation

• Name: Taxine (mixture of Taxine B and iso-Taxine B) (~80%)
• Synonyme: [3S-[3alpha(S*),4aalpha,5alpha,6alpha,11beta,12alpha,12abeta]]-beta-(Dimethylamino)benzenepropanoic Acid, 11-(Acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,12-trihydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl Ester

Beschreibung

Applications Taxine B is a toxic pyrrolizidine alkaloid obtained from rhodadendron and ragwort plants decomposition. An impurity in the biosynthesis of Paclitaxel (P132500)
References Nikolic, V. et al.: Paclitaxel., 101 (2013); Hu, L. et al.: PLoS One, 6, e29491 (2011);

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 583.72
• Formel: C₃₃H₄₅NO₈
• Reinheit: ~80%
• Farbe/Form: Off-White
• InChl: InChI=1S/2C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5;1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h2*9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t2*22-,24+,27+,28-,29+,30+,32-,33-/m11/s1
• InChI Key: InChIKey=MMSLIBYIUQXJKW-MGJNOJHBSA-N
• SMILES: C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C.C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C