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3'-p-hydroxy paclitaxel-[d5]

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General Information
Catalog: BLP-002788
Molecular Formula: C47H46D5NO15
Molecular Weight: 874.94
Chemical Structure
3'-p-hydroxy paclitaxel-[d5]
Description 3'-p-hydroxy paclitaxel-[d5] is the labelled analogue of 3'-p-hydroxy paclitaxel, which is a metabolite of Paclitaxel.
Synonyms 3'-p-hydroxy paclitaxel D5; 3'-p-hydroxy paclitaxel-d5
IUPAC Name [(1S,4S,7R,9S,10S,12R)-4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(4-hydroxyphenyl)-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]propanoyl]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 132160-32-8 (unlabelled)
Canonical SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)O)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI InChI=1S/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31?,32-,33+,35?,36?,37+,38?,40?,45+,46-,47+/m0/s1/i7D,9D,10D,13D,14D
InChI Key XKSMHFPSILYEIA-DAHDJECYSA-N
Purity 98%; ≥ 97% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Off-white to Pale Pink Solid
Storage -20 °C
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