Name: 2'-O-Methyl-[d3] Paclitaxel
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015230

Molecular Formula: C48H50D3NO14

Molecular Weight: 870.95

Chemical Structure

Description	2'-O-Methyl-[d3] Paclitaxel is a labelled impurity of Paclitaxel. Paclitaxel is a chemotherapy medication used to treat a number of types of cancer.
Synonyms	2'-O-Methyl-d3 Paclitaxel; (αR,βS)-β-(Benzoylamino)-α-methoxy-d3-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-d3-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(trideuteriomethoxy)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Related CAS	156413-67-1 (unlabelled)
Canonical SMILES	[2H]C([2H])([2H])O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O
InChI	InChI=1S/C48H53NO14/c1-26-32(61-44(56)38(58-7)36(29-17-11-8-12-18-29)49-42(54)30-19-13-9-14-20-30)24-48(57)41(62-43(55)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(53)37(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52,57H,23-25H2,1-7H3,(H,49,54)/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1/i7D3
InChI Key	CXXNFHTXDMZRLB-ODWNFYPHSA-N
Melting Point	171-174 °C
Appearance	White Solid