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CHEBI:50301 - terpentecin

ChEBI IDCHEBI:50301
ChEBI Nameterpentecin
Stars
Last Modified6 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILES[H][C@@]12CCC=C(C)[C@@]1(C)C(=O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1
InChIInChI=1S/C20H28O6/c1-11-6-5-7-13-18(3,12(2)16(24)17(25)19(11,13)4)8-14(22)20(10-26-20)15(23)9-21/h6,9,12-14,16,22,24H,5,7-8,10H2,1-4H3/t12-,13+,14-,16-,18-,19-,20+/m1/s1
InChIKeyISTOHHFNKVUOKP-BRUMOIPRSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
terpentecin (CHEBI:50301) is a carbocyclic antibiotic (CHEBI:49319)
terpentecin (CHEBI:50301) is a diterpenoid (CHEBI:23849)
terpentecin (CHEBI:50301) is a octahydronaphthalenes (CHEBI:138397)
terpentecin (CHEBI:50301) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
[(2S)-2-{(1R)-1-hydroxy-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl](oxo)acetaldehyde
Registry NumbersSources
CAS:100440-25-3ChemIDplus