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CHEBI:207375 - (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline

ChEBI IDCHEBI:207375
ChEBI Name(2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO4
Net Charge0
Average Mass501.667
Monoisotopic Mass501.28791
SMILESC=CC(C)(C)c1ccc2nc3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H](C(C)(C)O)OC4=CC[C@]2(C)[C@@]31C
InChIInChI=1S/C32H39NO4/c1-8-28(2,3)18-9-10-23-20(15-18)21-16-19-11-14-32(36)22-17-24(34)27(29(4,5)35)37-25(22)12-13-30(32,6)31(19,7)26(21)33-23/h8-10,12,15,17,19,27,33,35-36H,1,11,13-14,16H2,2-7H3/t19-,27-,30+,31+,32+/m0/s1
InChIKeyFNTKJPWOQYZZSM-LGTSKZSNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24983640)
ChEBI Ontology
Outgoing Relation(s)
(2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline (CHEBI:207375) is a organic heterotricyclic compound (CHEBI:26979)
(2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline (CHEBI:207375) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(2-methylbut-3-en-2-yl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-4,9,16(24),17(22),18,20-hexaen-8-one
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