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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-acetoxy-15α,22-dihydroxyhopane
ChEBI ID CHEBI:69636
ChEBI ASCII Name 3beta-acetoxy-15alpha,22-dihydroxyhopane
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H54O4
Net Charge 0
Average Mass 502.76880
Monoisotopic Mass 502.40221
InChI InChI=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
InChIKey YVAGCSJSVHJSNX-CSTUNLOWSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H]([C@@H]4C[C@H](O)[C@@]32C)C(C)(C)O)C1(C)C
Metabolite of Species Details
Aschersonia (NCBI:txid100986) See: PubMed
Hypocrella (NCBI:txid42305) Found in mycelium (BTO:0001436). The fungus was isolated form scale insect of strain BCC 14524 See: PubMed
Moelleriella (NCBI:txid511189) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
8958855 Reaxys Registry Number Reaxys
Citation Type Source
21995505 PubMed citation Europe PMC
Last Modified
26 May 2015