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CHEBI:69633 - 3β-acetoxy-7β,15α,22-trihydroxyhopane

ChEBI IDCHEBI:69633
ChEBI Name3β-acetoxy-7β,15α,22-trihydroxyhopane
Stars
ASCII Name3beta-acetoxy-7beta,15alpha,22-trihydroxyhopane
DefinitionA hopanoid that is hopane substituted by an acetoxy group at position 3 and hydroxy groups at positions 7, 15 and 22 respectively (the 3β,7β,15α-stereoisomer). It has been isolated from Hypocrella species.
Last Modified26 May 2015
DownloadsMolfile
FormulaC32H54O5
Net Charge0
Average Mass518.779
Monoisotopic Mass518.39712
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])C[C@H](O)[C@@]3(C)[C@]1(C)[C@@H](O)C[C@@]1([H])[C@@H](C(C)(C)O)CC[C@]21C
InChIInChI=1S/C32H54O5/c1-18(33)37-26-13-15-30(7)22-11-10-21-29(6)14-12-19(28(4,5)36)20(29)16-24(34)31(21,8)32(22,9)25(35)17-23(30)27(26,2)3/h19-26,34-36H,10-17H2,1-9H3/t19-,20-,21+,22+,23-,24-,25-,26-,29-,30+,31-,32-/m0/s1
InChIKeyNUCRCPGDAUKOEZ-KJMMORIQSA-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-7β,15α,22-trihydroxyhopane (CHEBI:69633) has role fungal metabolite (CHEBI:76946)
3β-acetoxy-7β,15α,22-trihydroxyhopane (CHEBI:69633) is a acetate ester (CHEBI:47622)
3β-acetoxy-7β,15α,22-trihydroxyhopane (CHEBI:69633) is a hopanoid (CHEBI:51963)
3β-acetoxy-7β,15α,22-trihydroxyhopane (CHEBI:69633) is a pentacyclic triterpenoid (CHEBI:25872)
3β-acetoxy-7β,15α,22-trihydroxyhopane (CHEBI:69633) is a triol (CHEBI:27136)
IUPAC Name 
(3β,7β,15α)-7,15,22-trihydroxyhopan-3-yl acetate
Registry NumbersSources
Reaxys:21969325Reaxys
Citations