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Paclitaxel-[13C6]

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General Information
Catalog: BLP-010172
CAS: 379688-61-6
Molecular Formula: C41[13C]6H51NO14
Molecular Weight: 859.86

Chemical Structure

Description	Paclitaxel-[13C6] is the labelled analogue of Paclitaxel. Paclitaxel is a chemotherapy medication used to treat a number of types of cancer.
IUPAC Name	[4,12-diacetyloxy-15-[3-((1,2,3,4,5,6-13C6)cyclohexatrienecarbonylamino)-2-hydroxy-3-phenylpropanoyl]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	33069-62-4 (unlabelled)
Canonical SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)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/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/i8+1,12+1,13+1,18+1,19+1,29+1
InChI Key	RCINICONZNJXQF-PZCXMIGBSA-N
Appearance	Off-white Solid