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6α-Hydroxy Paclitaxel-[d5]

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General Information
Catalog: BLP-003111
CAS: 1315376-90-9
Molecular Formula: C47H46D5NO15
Molecular Weight: 874.94

Chemical Structure

Description	6α-Hydroxy Paclitaxel-[d5] is a labelled version of 6α-Hydroxy Paclitaxel, a major metabolite of Paclitaxel.
Synonyms	(2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-(benzamido-2,3,4,5,6-d5)-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
IUPAC Name	[(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-1,8,9-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Related CAS	153212-75-0 (unlabelled)
Canonical SMILES	CC1=C2C(C(=O)C3(C(C(C(C2(C)C)(CC1OC(=O)C(C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)C7(COC7C(C3O)O)OC(=O)C)C)OC(=O)C
InChI	InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1/i8D,12D,13D,18D,19D
InChI Key	NDCWHEDPSFRTDA-NZSUPHSRSA-N
Melting Point	>171°C (dec.)
Purity	> 98%
Solubility	Soluble in Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	-20°C