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CHEBI:227992 - Steresterone A

ChEBI IDCHEBI:227992
ChEBI NameSteresterone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O6
Net Charge0
Average Mass500.676
Monoisotopic Mass500.31379
SMILESCCOC(=O)C1=CC(=O)[C@H]2C[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@@H]4O[C@H]4[C@H](C)C(C)C)CC[C@@]34O[C@@]14[C@@H]2O
InChIInChI=1S/C30H44O6/c1-8-34-26(33)20-13-21(31)18-14-27(20,6)22-10-11-28(7)19(9-12-29(28)30(22,36-29)25(18)32)17(5)24-23(35-24)16(4)15(2)3/h13,15-19,22-25,32H,8-12,14H2,1-7H3/t16-,17+,18-,19-,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1
InChIKeyOWBPJBQKRVNNBP-NHJUSTAWSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - DOI (10.1016/j.phytol.2019.02.007)
ChEBI Ontology
Outgoing Relation(s)
Steresterone A (CHEBI:227992) is a prostanoid (CHEBI:26347)
IUPAC Name 
ethyl (1R,2R,5R,6R,9R,11R,12R,13S)-12-hydroxy-1,5-dimethyl-6-[(1S)-1-[(2S,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-14-oxo-10-oxapentacyclo[11.3.1.02,11.05,9.09,11]heptadec-15-ene-16-carboxylate