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CHEBI:70043 - rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate

ChEBI IDCHEBI:70043
ChEBI Namerel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
Stars
DefinitionA natural product found in Carijoa multiflora.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H32O3
Net Charge0
Average Mass356.506
Monoisotopic Mass356.23514
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@H](C)OC(C)=O
InChIInChI=1S/C23H32O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h9,11,13-14,18-21H,5-8,10,12H2,1-4H3/t14-,18+,19-,20+,21+,22+,23-/m1/s1
InChIKeyPDVBJOFBNYIZJE-KZJFZMNRSA-N
Species of MetaboliteComponentSourceComments
Carijoa (ncbitaxon:360971) - PubMed (21235217) Acetone extract of fresh sample
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate (CHEBI:70043) has role metabolite (CHEBI:25212)
rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate (CHEBI:70043) is a corticosteroid hormone (CHEBI:36699)
Citations