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CHEBI:142455 - premutilin

ChEBI IDCHEBI:142455
ChEBI Namepremutilin
Stars
DefinitionA tricyclic diterpenoid which is an intermediate in the biosynthetic pathway leading to the synthesis of the antibiotic, pleuromutilin.
Last Modified18 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CCC[C@]13CCC(C)[C@@]2(C)[C@H](O)C[C@@](C)(C=C)C[C@@H]3C
InChIInChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3/t14?,15-,16-,17+,18-,19+,20+/m0/s1
InChIKeyOPVUAGGKMBXOGV-IQWJVPKTSA-N
ChEBI Ontology
Outgoing Relation(s)
premutilin (CHEBI:142455) is a olefinic compound (CHEBI:78840)
premutilin (CHEBI:142455) is a organic hydroxy compound (CHEBI:33822)
premutilin (CHEBI:142455) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3aR,4S,6S,8R,9R,9aR)-4,6,9,10-tetramethyl-6-vinyldecahydro-3a,9-propanocyclopentacycloocten-8-ol
UniProt Name  Source
premutilinUniProt
Registry NumbersSources
Reaxys:32058477Reaxys
Citations