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CHEBI:72642 - 3-deoxycapsidiol

Default Structure
ChEBI IDCHEBI:72642
ChEBI Name3-deoxycapsidiol
Stars
DefinitionAn eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene carrying an additional 1β-hydroxy substituent.
Last Modified7 September 2018
SubmitterSteve
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C(C)[C@@H]1CC=C2[C@H](O)CC[C@@H](C)[C@@]2(C)C1
InChIInChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12-,14-,15-/m1/s1
InChIKeyNJWPLFBOSCSZFA-QHSBEEBCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-deoxycapsidiol (CHEBI:72642) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
3-deoxycapsidiol (CHEBI:72642) is a eremophilane sesquiterpenoid (CHEBI:36753)
3-deoxycapsidiol (CHEBI:72642) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
(1R,4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol
Synonyms  Source
1β,4βH-eremophila-9,11-diene-1-olChEBI
1β-hydroxy-5-epiaristolocheneMetaCyc
4-epi-eremophila-9,11-dien-1β-olChEBI
Manual XrefsDatabases
CPD-4663MetaCyc
Registry NumbersSources
Reaxys:9922061Reaxys
Citations