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CHEBI:52226 - epi-cedrol

ChEBI IDCHEBI:52226
ChEBI Nameepi-cedrol
Stars
ASCII Nameepi-cedrol
DefinitionThe 8S-epimer of cedrol.
Last Modified4 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12CC[C@@H](C)[C@@]13CC[C@](C)(O)[C@H](C3)C2(C)C
InChIInChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
InChIKeySVURIXNDRWRAFU-MIBAYGRRSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
epi-cedrol (CHEBI:52226) has role plant metabolite (CHEBI:76924)
epi-cedrol (CHEBI:52226) is a cedrane sesquiterpenoid (CHEBI:36745)
epi-cedrol (CHEBI:52226) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
cedran-8-ol
Synonyms  Source
8-epicedrolSUBMITTER
(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-olIUPAC
(−)-epicedrolChEBI
8-epi-cedrolNIST Chemistry WebBook
8-epicedrolChEBI
UniProt Name  Source
epi-cedrolUniProt
Registry NumbersSources
Reaxys:3195903Reaxys
CAS:19903-73-2NIST Chemistry WebBook
Citations