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4'-Demethyl Homoharringtonine-[13C,d3]

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General Information
Catalog: BLP-002826
CAS: 1217669-36-7
Molecular Formula: C27[13C]H34D3NO9
Molecular Weight: 535.61

Chemical Structure

Description	4'-Demethyl Homoharringtonine-[13C,d3] is the labelled analogue of 4'-Demethyl Homoharringtonine. 4'-Demethyl Homoharringtonine is a metabolite of Homoharringtonine, a cytotoxic component of the evergreen plant Cephalotaxus harringtonia.
Synonyms	4'-Demethyl Homoharringtonine-13C,d3; Cephalotaxine-13C,d3 4-Hydrogen (2R)-2-Hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (Ester); 5'-Des-O-methylhomoharringtonine-13C,d3
IUPAC Name	(3R)-3,7-dihydroxy-7-methyl-3-[[(2S,3S,6R)-4-(trideuterio(1-13C)methoxy)-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl]oxycarbonyl]octanoic acid
Related CAS	98599-84-9 (unlabelled)
Canonical SMILES	CC(C)(CCCC(CC(=O)O)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
InChI	InChI=1S/C28H37NO9/c1-26(2,33)7-4-9-28(34,15-22(30)31)25(32)38-24-21(35-3)14-27-8-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,33-34H,4-11,15-16H2,1-3H3,(H,30,31)/t23-,24-,27+,28-/m1/s1/i3+1D3
InChI Key	LRNKGNYRSLLFRU-JZXXSLGNSA-N