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CHEBI:137563 - (1R,4R,5S)-(−)-guaia-6,10(14)-diene

ChEBI IDCHEBI:137563
ChEBI Name(1R,4R,5S)-(−)-guaia-6,10(14)-diene
Stars
ASCII Name(1R,4R,5S)-(-)-guaia-6,10(14)-diene
DefinitionA sesquiterpene that is 1,2,3,3a,4,5,6,8a-octahydroazulene carrying methyl, methylidene and isopropyl substituents at positions 1, 4 and 7 respectively.
Last Modified30 August 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC[C@@H](C)[C@@]1([H])C=C(C(C)C)CCC2=C
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-10,12,14-15H,3,5-8H2,1-2,4H3/t12-,14+,15-/m1/s1
InChIKeyQCESRPKOTSPFAU-VHDGCEQUSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4R,5S)-(−)-guaia-6,10(14)-diene (CHEBI:137563) is a carbobicyclic compound (CHEBI:36785)
(1R,4R,5S)-(−)-guaia-6,10(14)-diene (CHEBI:137563) is a polycyclic olefin (CHEBI:35714)
(1R,4R,5S)-(−)-guaia-6,10(14)-diene (CHEBI:137563) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,3aR,8aS)-1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulene
Synonym  Source
(−)-guaia-6,10(14)-dieneChEBI
UniProt Name  Source
(1R,4R,5S)-(−)-guaia-6,10(14)-dieneUniProt
Manual XrefsDatabases
CPD-20085MetaCyc
Registry NumbersSources
Reaxys:30056313Reaxys
Citations