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CHEBI:69631 - 3β-acetoxy-15α-hydroxy-22(29)-hopene

ChEBI IDCHEBI:69631
ChEBI Name3β-acetoxy-15α-hydroxy-22(29)-hopene
Stars
ASCII Name3beta-acetoxy-15alpha-hydroxy-22(29)-hopene
DefinitionA hopanoid that is hop-22(29)-ene substituted by an acetoxy group at position 3 and a hydroxy group at position 15 (the 3β,15α-stereoisomer). It has been isolated from Hypocrella species.
Last Modified26 May 2015
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](C(=C)C)[C@]4([H])C[C@H](O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H52O3/c1-19(2)21-12-15-29(6)22(21)18-26(34)32(9)25(29)11-10-24-30(7)16-14-27(35-20(3)33)28(4,5)23(30)13-17-31(24,32)8/h21-27,34H,1,10-18H2,2-9H3/t21-,22+,23+,24-,25-,26+,27+,29+,30+,31-,32+/m1/s1
InChIKeyQSVUNIKEYUWHML-GDHXYORVSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) mycelium (BTO:0001436) PubMed (21995505) The fungus was isolated form scale insect Strain: BCC 14524
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
3β-acetoxy-15α-hydroxy-22(29)-hopene (CHEBI:69631) has role fungal metabolite (CHEBI:76946)
3β-acetoxy-15α-hydroxy-22(29)-hopene (CHEBI:69631) is a acetate ester (CHEBI:47622)
3β-acetoxy-15α-hydroxy-22(29)-hopene (CHEBI:69631) is a hopanoid (CHEBI:51963)
3β-acetoxy-15α-hydroxy-22(29)-hopene (CHEBI:69631) is a pentacyclic triterpenoid (CHEBI:25872)
3β-acetoxy-15α-hydroxy-22(29)-hopene (CHEBI:69631) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,15α)-15-hydroxyhop-22(29)-en-3-yl acetate
Registry NumbersSources
Reaxys:21969323Reaxys
Citations