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CHEBI:61687 - cis-muurola-3,5-diene

Default Structure
ChEBI IDCHEBI:61687
ChEBI Namecis-muurola-3,5-diene
Stars
ASCII Namecis-muurola-3,5-diene
DefinitionA carbobicyclic compound that is 1,2,3,4,4a,5-hexahydronaphthalene which is substituted at position 1 by a propan-2-yl group and at positions 4 and 7 by methyl groups (the 1R,4R,4aS-diastereoisomer).
Last Modified23 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC=C(C)C=C1[C@@H](C(C)C)CC[C@H]2C
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3/t12-,13-,14+/m1/s1
InChIKeyJOCWPECWTZZSSX-MCIONIFRSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-muurola-3,5-diene (CHEBI:61687) is a carbobicyclic compound (CHEBI:36785)
cis-muurola-3,5-diene (CHEBI:61687) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,4R,4aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5-hexahydronaphthalene
UniProt Name  Source
cis-muurola-3,5-dieneUniProt
Manual XrefsDatabases
CPD-10707MetaCyc
Registry NumbersSources
Reaxys:8484960Reaxys
Citations