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CHEBI:208976 - Euphol acetate

Default Structure
ChEBI IDCHEBI:208976
ChEBI NameEuphol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@@]1(C)CC[C@@H](C(C)CCC=C(C)C)[C@]1(C)CC3
InChIInChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22?,24-,27?,28-,30+,31-,32+/m0/s1
InChIKeyBQPPJGMMIYJVBR-BXBFSACRSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/0031-9422(95)00778-4)
ChEBI Ontology
Outgoing Relation(s)
Euphol acetate (CHEBI:208976) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Manual XrefsDatabases
78439952ChemSpider