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CHEBI:132871 - (−)-homalomenol D

ChEBI IDCHEBI:132871
ChEBI Name(−)-homalomenol D
Stars
ASCII Name(-)-homalomenol D
DefinitionAn organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.02,6]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer.
Last Modified15 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@]12O[C@]([H])(CC[C@@]1(C)O)[C@]1(C)CC[C@@]([H])(C(C)C)[C@@]12[H]
InChIInChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1
InChIKeyYEBFCABPNPSILV-RUDNTAQLSA-N
Species of MetaboliteComponentSourceComments
Homalomena aromatica (ncbitaxon:1804071) root (BTO:0001188) Article (Phytochemistry, 1992, 31(5), 1659-1661)
ChEBI Ontology
Outgoing Relation(s)
(−)-homalomenol D (CHEBI:132871) is a cyclic ether (CHEBI:37407)
(−)-homalomenol D (CHEBI:132871) is a organic heterotricyclic compound (CHEBI:26979)
(−)-homalomenol D (CHEBI:132871) is a sesquiterpenoid (CHEBI:26658)
(−)-homalomenol D (CHEBI:132871) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
rel-(1R,2R,5S,6S,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol
Synonym  Source
homalomenol DChEBI
Registry NumbersSources
Reaxys:5425478Reaxys