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

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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
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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 Waiting for Citations Type Source
21995505 PubMed citation Europe PMC
Last Modified
26 May 2015