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CHEBI:7849 - oxolucidine B

ChEBI IDCHEBI:7849
ChEBI Nameoxolucidine B
Stars
DefinitionAn organonitrogen heterocyclic compound that is lucidine B in which the hydrogen at the 4a position of the dodecahydrobenzo[5,6]cyclohepta[1,2-b]pyridinyl moiety is substituted by a hydroxy group.
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H49N3O2
Net Charge0
Average Mass483.741
Monoisotopic Mass483.38248
SMILES[H][C@@]1(C[C@@]2([H])C[C@H](C)C[C@@]3([H])N(C(C)=O)CCC[C@@]23[H])CC[C@@]2(O)C(=N1)C[C@]1([H])C[C@@H](C)C[C@@H]3N(C)C[C@H]2C[C@@]31[H]
InChIInChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1
InChIKeyQRIZONDFXOOWTA-MREYPERPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
oxolucidine B (CHEBI:7849) has functional parent lucidine B (CHEBI:6556)
oxolucidine B (CHEBI:7849) is a decahydroquinoline alkaloid (CHEBI:47009)
oxolucidine B (CHEBI:7849) is a organonitrogen heterocyclic compound (CHEBI:38101)
oxolucidine B (CHEBI:7849) is a tertiary alcohol (CHEBI:26878)
oxolucidine B (CHEBI:7849) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(1R,2S,5S,9S,11R,13S,17R)-5-{[(4aS,5R,7S,8aR)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-2-ol
Synonyms  Source
Oxolucidine BKEGG COMPOUND
Serratanine BKEGG COMPOUND
(4aS,5R,7S,8aR)-1-acetyl-5-[[(2S,4aS,5R,6aR,7S,9R,10aS)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-4a-hydroxy-9,12-dimethyl-7,5-(iminomethano)-2H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinolineIUPAC
Manual XrefsDatabases
C09891KEGG COMPOUND
C00001953KNApSAcK
Registry NumbersSources
Reaxys:8600822Reaxys
CAS:71384-25-3KEGG COMPOUND
CAS:71384-25-3ChemIDplus
Citations