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CHEBI:67346 - 1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene

ChEBI IDCHEBI:67346
ChEBI Name1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene
Stars
ASCII Name1beta-hydroxy-6,7alpha-dihydroxyeudesm-4(15)-ene
DefinitionA eudesmane sesquiterpenoid in which the eudesmane skeleton carries hydroxy substituents at position 1, 6 and 7 and a double bond between C-4 and C-14. It has been isolated from the aerial parts of Tephrosia candida.
Last Modified9 January 2014
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILES[H][C@]12C(=C)CC[C@@H](O)[C@]1(C)CC[C@@](O)(C(C)C)[C@@H]2O
InChIInChI=1S/C15H26O3/c1-9(2)15(18)8-7-14(4)11(16)6-5-10(3)12(14)13(15)17/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12-,13-,14+,15-/m1/s1
InChIKeyCUHWMIOLJCBKOH-ARILJUKYSA-N
Species of MetaboliteComponentSourceComments
Tephrosia candida (IPNI:520444-1) aerial part (BTO:0001658) PubMed (21510635) CH2Cl2-MeOH (1:1) extract of crushed, air-dried aerial parts
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene (CHEBI:67346) has role plant metabolite (CHEBI:76924)
1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene (CHEBI:67346) is a eudesmane sesquiterpenoid (CHEBI:62508)
1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene (CHEBI:67346) is a secondary alcohol (CHEBI:35681)
1β-hydroxy-6,7α-dihydroxyeudesm-4(15)-ene (CHEBI:67346) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
rel-(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)decahydronaphthalene-1,2,5-triol
Registry NumbersSources
Reaxys:21534250Reaxys
Citations