EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:36530 - cedrane

ChEBI IDCHEBI:36530
ChEBI Namecedrane
Stars
Last Modified4 March 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H26
Net Charge0
Average Mass206.373
Monoisotopic Mass206.20345
SMILES[H][C@@]12CC[C@@H](C)[C@@]13CC[C@@H](C)[C@H](C3)C2(C)C
InChIInChI=1S/C15H26/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,15+/m1/s1
InChIKeyJJTQQGNEXQKQRF-BIGJJFBESA-N
ChEBI Ontology
Outgoing Relation(s)
cedrane (CHEBI:36530) is a sesquiterpene (CHEBI:35189)
cedrane (CHEBI:36530) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
cedr-8-ene (CHEBI:10216) has parent hydride cedrane (CHEBI:36530)
cedrane sesquiterpenoid (CHEBI:36745) has parent hydride cedrane (CHEBI:36530)
IUPAC Name 
cedrane
Synonyms  Source
(1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecaneIUPAC
[3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazuleneNIST Chemistry WebBook
α-cedraneNIST Chemistry WebBook
Registry NumbersSources
Beilstein:3194876Beilstein
CAS:13567-54-9NIST Chemistry WebBook