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CHEBI:208233 - Abscisterol B

ChEBI IDCHEBI:208233
ChEBI NameAbscisterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILESC=C(CC/C=C1\CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H42O2/c1-18(2)19(3)6-5-7-20-9-11-24-23-10-8-21-16-22(29)12-15-27(21,17-28)25(23)13-14-26(20,24)4/h7,10,18,21-22,24-25,28-29H,3,5-6,8-9,11-17H2,1-2,4H3/b20-7+/t21-,22-,24-,25-,26+,27+/m0/s1
InChIKeyVDLHLHQWKDREBM-VMLMXJRYSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsis (ncbitaxon:108533) - DOI (10.1016/0040-4039(95)01598-1)
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
Abscisterol B (CHEBI:208233) has role androgen (CHEBI:50113)
Abscisterol B (CHEBI:208233) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3S,5S,9S,10R,13S,14S,17E)-10-(hydroxymethyl)-13-methyl-17-(5-methyl-4-methylidenehexylidene)-1,2,3,4,5,6,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
78438444ChemSpider