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CHEBI:78567 - β-aminoarteether

ChEBI IDCHEBI:78567
ChEBI Nameβ-aminoarteether
Stars
ASCII Namebeta-aminoarteether
DefinitionAn artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [β (S) configuration at the new stereocentre].
Last Modified16 May 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H29NO5
Net Charge0
Average Mass327.421
Monoisotopic Mass327.20457
SMILES[H][C@]12O[C@H](OCCN)[C@H](C)[C@]3([H])CC[C@@H](C)[C@]4([H])CC[C@@](C)(OO[C@]143)O2
InChIInChI=1S/C17H29NO5/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10-15H,4-9,18H2,1-3H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
InChIKeyHPGHCIXRRLNXRN-XQLAAWPRSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
ChEBI Ontology
Outgoing Relation(s)
β-aminoarteether (CHEBI:78567) is a artemisinin derivative (CHEBI:63920)
β-aminoarteether (CHEBI:78567) is a primary amino compound (CHEBI:50994)
Incoming Relation(s)
β-aminoarteether maleate (CHEBI:78570) has part β-aminoarteether (CHEBI:78567)
IUPAC Names 
2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}ethanamine
2-[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]ethanamine
Synonyms  Source
2-(10β-dihydroartemisinoxy)ethylamineChEBI
10-(β-aminoethoxy)dihydroartemisininChEBI
β-2'-aminoarteetherChEBI
Registry NumbersSources
Reaxys:7378418Reaxys
Citations