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

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ChEBI Name 3β-acetoxy-15α-hydroxy-22(29)-hopene
ChEBI ID CHEBI:69631
ChEBI ASCII Name 3beta-acetoxy-15alpha-hydroxy-22(29)-hopene
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H52O3
Net Charge 0
Average Mass 484.75350
Monoisotopic Mass 484.39165
InChI InChI=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
InChIKey QSVUNIKEYUWHML-GDHXYORVSA-N
SMILES CC(=C)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C
Metabolite of Species Details
Hypocrella (NCBI:txid42305) Found in mycelium (BTO:0001436). The fungus was isolated form scale insect of strain BCC 14524 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-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 Number Type Source
21969323 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21995505 PubMed citation Europe PMC
Last Modified
26 May 2015