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CHEBI:211531 - Nodulisporisteroid N

ChEBI IDCHEBI:211531
ChEBI NameNodulisporisteroid N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILESCOC(=O)CC[C@]1(C)C2=C(CC[C@H]1[C@@H](O)CO)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C23H36O5/c1-14(25)16-7-8-17-15-5-6-19(20(26)13-24)23(3,12-10-21(27)28-4)18(15)9-11-22(16,17)2/h16-17,19-20,24,26H,5-13H2,1-4H3/t16-,17+,19+,20+,22-,23-/m1/s1
InChIKeyUTMLHIJEESKUJZ-BPWSWWHJSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - DOI (10.1016/j.tet.2018.08.011)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporisteroid N (CHEBI:211531) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl 3-[(3S,3aS,6S,7R,9bR)-3-acetyl-7-[(1R)-1,2-dihydroxyethyl]-3a,6-dimethyl-2,3,4,5,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
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78439199ChemSpider