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CHEBI:70332 - 7-nor-ergosterolide

ChEBI IDCHEBI:70332
ChEBI Name7-nor-ergosterolide
Stars
DefinitionA steroid lactone that is a derivative of ergostanoid, isolated from the culture extract of Aspergillus ochraceus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)CCC1=C2OC(=O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=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
InChIKeyUPMCJHRCQLXGPP-GOZBUJHGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) mycelium (BTO:0001436) PubMed (21043476) MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum Strain: EN 31
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:21092007Reaxys
Citations