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CHEBI:10441 - β-santalol

Default Structure
ChEBI IDCHEBI:10441
ChEBI Nameβ-santalol
Stars
ASCII Namebeta-santalol
Last Modified3 August 2014
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CO
InChIInChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1
InChIKeyOJYKYCDSGQGTRJ-GQYWAMEOSA-N
ChEBI Ontology
Outgoing Relation(s)
β-santalol (CHEBI:10441) is a norbornane monoterpenoid (CHEBI:25590)
β-santalol (CHEBI:10441) is a penten-1-ols (CHEBI:33911)
IUPAC Name 
(2Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol
Synonyms  Source
(1S-(1alpha,2alpha(Z),4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-olChemIDplus
2-Methyl-5-(2-methyl-3-methylene-2-norbornyl)-2-penten-1-olChemIDplus
beta-SantalenolChemIDplus
beta-SantalolKEGG COMPOUND
Manual XrefsDatabases
C00003183KNApSAcK
C09720KEGG COMPOUND
Registry NumbersSources
CAS:77-42-9KEGG COMPOUND
CAS:77-42-9ChemIDplus
CAS:77-42-9NIST Chemistry WebBook