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CHEBI:211363 - Penijanthine C

ChEBI IDCHEBI:211363
ChEBI NamePenijanthine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO3
Net Charge0
Average Mass439.640
Monoisotopic Mass439.30864
SMILESCC(C)(O)[C@H](O)CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C28H41NO3/c1-25(2,32)22(30)12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31/h6-9,17,21-23,29-32H,10-16H2,1-5H3/t17-,21-,22+,23-,26-,27-,28+/m0/s1
InChIKeyXUDVKTPTAOVMJY-FNCFULCPSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (30891440)
ChEBI Ontology
Outgoing Relation(s)
Penijanthine C (CHEBI:211363) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-5-[(1S,12S,15R,16S,17S,20S)-17-hydroxy-1,16,20-trimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-16-yl]-2-methylpentane-2,3-diol
Manual XrefsDatabases
71266928ChemSpider