7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III

Product Name 7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III
CAT No. CS-T-86214
CAS No. 110258-92-9
Category Intermediates
Stock IN-Stock
Mol. Wt. 1070.78 g/mol
Mol. For. C₃₈H₃₉Cl₉O₁₆
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys CC1=C2C(OC(OCC(Cl)(Cl)Cl)=O)C(C3(C)C(OC(OCC(Cl)(Cl)Cl)=O)CC4C(CO4)(OC(C)=O)C3C(OC(C5=CC=CC=C5)=O)C(CC1OC(OCC(Cl)(Cl)Cl)=O)(O)C2(C)C)=O
Canonical Smiles CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)OCC(Cl)(Cl)Cl)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl
InchIKey HLCSYHHJEMPKSY-RRKHLBDSSA-N
Inchl InChI=1S/C38H39Cl9O16/c1-17-20(59-29(51)56-14-36(39,40)41)12-35(54)27(62-28(50)19-9-7-6-8-10-19)25-33(5,26(49)24(23(17)32(35,3)4)61-31(53)58-16-38(45,46)47)21(60-30(52)57-15-37(42,43)44)11-22-34(25,13-55-22)63-18(2)48/h6-10,20-22,24-25,27,54H,11-16H2,1-5H3/t20-,21-,22+,24+,25-,27-,33+,34-,35+/m0/s1
IUPAC [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12,15-tris(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Controlled No
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