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CHEBI:167861 - Terpestacin

ChEBI IDCHEBI:167861
ChEBI NameTerpestacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESC/C1=C/C[C@]2(C)C(=O)C(O)=C([C@H](C)CO)[C@H]2C/C=C(/C)[C@@H](O)CC/C(C)=C\CC1
InChIInChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21+,25+/m1/s1
InChIKeyUTGBBPSEQPITLF-QMDQJFAJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Terpestacin (CHEBI:167861) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
Manual XrefsDatabases
4947322ChemSpider
Registry NumbersSources
CAS:146436-22-8ChemIDplus