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CHEBI:69636 - 3β-acetoxy-15α,22-dihydroxyhopane

ChEBI IDCHEBI:69636
ChEBI Name3β-acetoxy-15α,22-dihydroxyhopane
Stars
ASCII Name3beta-acetoxy-15alpha,22-dihydroxyhopane
DefinitionA hopanoid that is hopane substituted by an acetoxy group at position 3 and hydroxy groups at positions 15 and 22 (the 3β,15α-stereoisomer). It has been isolated from Aschersonia species and Hypocrella species.
Last Modified26 May 2015
DownloadsMolfile
FormulaC32H54O4
Net Charge0
Average Mass502.780
Monoisotopic Mass502.40221
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](C(C)(C)O)[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/C32H54O4/c1-19(33)36-26-14-16-30(7)22(27(26,2)3)13-17-31(8)23(30)10-11-24-29(6)15-12-20(28(4,5)35)21(29)18-25(34)32(24,31)9/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22-,23+,24+,25-,26-,29-,30-,31+,32-/m0/s1
InChIKeyYVAGCSJSVHJSNX-CSTUNLOWSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - PubMed (21995505)
Hypocrella (ncbitaxon:42305) mycelium (BTO:0001436) PubMed (21995505) The fungus was isolated form scale insect Strain: BCC 14524
Moelleriella (ncbitaxon:511189) - PubMed (21995505)
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,22-dihydroxyhopane (CHEBI:69636) has role fungal metabolite (CHEBI:76946)
3β-acetoxy-15α,22-dihydroxyhopane (CHEBI:69636) is a acetate ester (CHEBI:47622)
3β-acetoxy-15α,22-dihydroxyhopane (CHEBI:69636) is a diol (CHEBI:23824)
3β-acetoxy-15α,22-dihydroxyhopane (CHEBI:69636) is a hopanoid (CHEBI:51963)
3β-acetoxy-15α,22-dihydroxyhopane (CHEBI:69636) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3β,15α)-15,22-dihydroxyhopan-3-yl acetate
Registry NumbersSources
Reaxys:8958855Reaxys
Citations