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CHEBI:182756 - (1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol

ChEBI IDCHEBI:182756
ChEBI Name(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO5
Net Charge0
Average Mass417.546
Monoisotopic Mass417.25152
SMILES[H][C@]12CC=C3[C@@]45CC=C([C@H](C)O)[C@]4(C[C@@H](O)[C@@]34OC(O)(CC[C@@]14C)C2)CN(C)CCO5
InChIInChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3/t15-,16+,19+,20-,21-,22?,23?,24-/m0/s1
InChIKeyZKCSFQZJDZSMCH-CLIHXXGNSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol (CHEBI:182756) is a gitoxigenin (CHEBI:38105)
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol (CHEBI:182756) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol
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C20032KEGG COMPOUND