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CHEBI:43546 - 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL

Default Structure
ChEBI IDCHEBI:43546
ChEBI Name3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H38O2
Net Charge0
Average Mass406.610
Monoisotopic Mass406.28718
SMILES[H]Oc1c([H])c([H])c([H])c(C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3([H])/C(=C([H])/C([H])=C4\C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C4([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])c1[H]
InChIInChI=1S/C28H38O2/c1-19-9-12-25(30)18-23(19)11-10-22-7-5-15-28(3)26(13-14-27(22)28)20(2)16-21-6-4-8-24(29)17-21/h4,6,8,10-11,17,20,25-27,29-30H,1,5,7,9,12-16,18H2,2-3H3/b22-10+,23-11-/t20-,25+,26-,27+,28-/m1/s1
InChIKeyFUULLJKQLABNSA-YPMWTJJSSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL (CHEBI:43546) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOLPDBeChem
3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propyl}phenol (non-preferred name)PDBeChem
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