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CHEBI:142082 - 2β-hydroxy-5-epi-aristolochene

ChEBI IDCHEBI:142082
ChEBI Name2β-hydroxy-5-epi-aristolochene
Stars
ASCII Name2beta-hydroxy-5-epi-aristolochene
DefinitionAn eremorphilane sesquiterpenoid that is (+)-5-epi-aristolochene in which the pro-R hydrogen at position 2 has been replaced by a hydroxy group.
Last Modified7 September 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C(C)[C@@H]1CC=C2C[C@H](O)C[C@@H](C)[C@@]2(C)C1
InChIInChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3/t11-,12-,14-,15-/m1/s1
InChIKeyXDDXSIZQZMVBQB-QHSBEEBCSA-N
ChEBI Ontology
Outgoing Relation(s)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) is a carbobicyclic compound (CHEBI:36785)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) is a eremophilane sesquiterpenoid (CHEBI:36753)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) is a homoallylic alcohol (CHEBI:134362)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) is a octahydronaphthalenes (CHEBI:138397)
2β-hydroxy-5-epi-aristolochene (CHEBI:142082) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
Synonyms  Source
epiaristolochen-2β-olChEBI
(2R,4R,5R,7R)-eremophila-9(10),11(12)-dien-2-olChEBI
UniProt Name  Source
2β-hydroxy-5-epi-aristolocheneUniProt
Citations