N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel
Product Code
TRC-D422110
CAS Number
Product Format
Neat
Molecular Formula
C44 H47 Cl6 N O16
Molecular Weight
1058.56
Product Categories
Product Information
Chemical Data
Analyte Name
N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)ox
CAS Number
114915-16-1
Molecular Formula
C44 H47 Cl6 N O16
Molecular Weight
1058.56
Accurate Mass
1055.1026
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](N)c6ccccc6)C(=C([C@@H](OC(=O)OCC(Cl)(Cl)Cl)C3=O)C5(C)C)C
InChI
InChI=1S/C44H47Cl6NO16/c1-21-25(63-36(56)30(53)29(51)23-12-8-6-9-13-23)17-42(59)34(66-35(55)24-14-10-7-11-15-24)32-40(5,33(54)31(28(21)39(42,3)4)65-38(58)62-20-44(48,49)50)26(64-37(57)61-19-43(45,46)47)16-27-41(32,18-60-27)67-22(2)52/h6-15,25-27,29-32,34,53,59H,16-20,51H2,1-5H3/t25-,26-,27+,29-,30+,31+,32-,34-,40+,41-,42+/m0/s1
Product Data
Storage Temperature
+4°C
Shipping Temperature
Blue Ice
Country of Origin
CANADA
Product Format
Neat
Product Description
An intermediate in partial synthesis of major human metabolites of Docetaxel (D494420), an antineoplastic.
References: Ojima, I., et al.: J. Med. Chem., 40, 279