CHEBI:70332 - 7-nor-ergosterolide

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ChEBI Name 7-nor-ergosterolide ChEBI ID CHEBI:70332 Definition A steroid lactone that is a derivative of ergostanoid, isolated from the culture extract of Aspergillus ochraceus. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H42O3 Net Charge 0 Average Mass 414.62060 Monoisotopic Mass 414.31340 InChI InChI=1S/C27H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-24-22(12-14-26(20,21)5)27(6)13-11-19(28)15-23(27)25(29)30-24/h16,18-21,23,28H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21+,23-,26-,27-/m1/s1 InChIKey UPMCJHRCQLXGPP-GOZBUJHGSA-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]1C(=O)O3 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 . Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 7-nor-ergosterolide (CHEBI:70332) has role Aspergillus metabolite (CHEBI:76956) 7-nor-ergosterolide (CHEBI:70332) has role antineoplastic agent (CHEBI:35610) 7-nor-ergosterolide (CHEBI:70332) is a 3β-hydroxy steroid (CHEBI:36836) 7-nor-ergosterolide (CHEBI:70332) is a steroid lactone (CHEBI:26766) IUPAC Name (1R,3aR,5aS,7S,9aS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,3a,5a,6,7,8,9,9a,10,11,11a-dodecahydrobenzo[c]cyclopenta[h]chromen-5(1H)-one Registry Number Type Source 21092007 Reaxys Registry Number Reaxys Citation Type Source 21043476 PubMed citation Europe PMC Last Modified 13 January 2014