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CHEBI:181382 - Paspalicine

Default Structure
ChEBI IDCHEBI:181382
ChEBI NamePaspalicine
Stars
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO3
Net Charge0
Average Mass417.549
Monoisotopic Mass417.23039
SMILES[H][C@@]12CC[C@@]3([H])C4=CC(=O)[C@]5([H])O[C@@]4(CC[C@]3(C)[C@@]1(C)c1nc3ccccc3c1C2)OC5(C)C
InChIInChI=1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1
InChIKeyHSFKQYJRJBEWKH-XTHGXZEWSA-N
ChEBI Ontology
Outgoing Relation(s)
Paspalicine (CHEBI:181382) is a organic heterotricyclic compound (CHEBI:26979)
Paspalicine (CHEBI:181382) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,5S,16S,19R,23R)-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
UniProt Name  Source
paspalicineUniProt
Manual XrefsDatabases
19978557ChemSpider
C20553KEGG COMPOUND
Registry NumbersSources
CAS:11024-55-8ChemIDplus