EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46408 - 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL

Default Structure
ChEBI IDCHEBI:46408
ChEBI Name5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H36O2
Net Charge0
Average Mass344.539
Monoisotopic Mass344.27153
SMILES[H]O[C@@]1([H])C(=C([H])[H])[C@]([H])(O[H])C([H])([H])C(=C([H])/C([H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C1([H])[H]
InChIInChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9-/t15-,19+,20-,21+,22+,23+/m0/s1
InChIKeyQSLUXQQUPXBIHH-KXNJMPKXSA-N
ChEBI Ontology
Outgoing Relation(s)
5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL (CHEBI:46408) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,3R,7E,17beta)-2-methylidene-17-[(1S)-1-methylpropyl]-9,10-secoestra-5,7-diene-1,3-diolPDBeChem
5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOLPDBeChem
Manual XrefsDatabases
VD1PDBeChem