CHEBI:70334 - 3β-hydroxyergosta-8,24(28)-dien-7-one

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ChEBI Name 3β-hydroxyergosta-8,24(28)-dien-7-one
ChEBI ID CHEBI:70334
ChEBI ASCII Name 3beta-hydroxyergosta-8,24(28)-dien-7-one
Definition An ergostanoid that is (5α)-ergosta-8,24(28)-diene substituted by a β-hydroxy group at position 3 and an oxo group at position 7. It has been isolated from Aspergillus ochraceus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C28H44O2
Net Charge 0
Average Mass 412.64780
Monoisotopic Mass 412.33413
InChI InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19-,20-,21+,22-,23+,27+,28-/m1/s1
InChIKey XNNFSCUGVQFHNA-KLARHEOWSA-N
SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O
Metabolite of Species Details
Aspergillus ochraceus (NCBI:txid40380) Found in mycelium (BTO:0001436). MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum of strain EN 31 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) has parent hydride 5α-ergostane (CHEBI:20652)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) has role Aspergillus metabolite (CHEBI:76956)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a 3β-hydroxy steroid (CHEBI:36836)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a 7-oxo steroid (CHEBI:47789)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3β,5α)-3-hydroxyergosta-8,24(28)-dien-7-one
Registry Number Type Source
21092008 Reaxys Registry Number Reaxys
Citation Type Source
21043476 PubMed citation Europe PMC
Last Modified
13 January 2014