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CHEBI:213221 - Abscisterol E

ChEBI IDCHEBI:213221
ChEBI NameAbscisterol E
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)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H42O2/c1-17(2)18(3)7-6-8-19-10-12-23-22-11-9-20-15-21(28)16-25(29)27(20,5)24(22)13-14-26(19,23)4/h8,11,17,20-21,23-25,28-29H,3,6-7,9-10,12-16H2,1-2,4-5H3/b19-8+/t20-,21+,23-,24-,25+,26+,27-/m0/s1
InChIKeyLECKCPJQDIJGJF-AIDDBTOVSA-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 E (CHEBI:213221) has role androgen (CHEBI:50113)
Abscisterol E (CHEBI:213221) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(1R,3R,5S,9S,10S,13S,14S,17E)-10,13-dimethyl-17-(5-methyl-4-methylidenehexylidene)-1,2,3,4,5,6,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-1,3-diol
Manual XrefsDatabases
78438028ChemSpider