CHEBI:180961 - E-Guggulsterone

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ChEBI Name E-Guggulsterone
ChEBI ID CHEBI:180961
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O2
Net Charge 0
Average Mass 312.453
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
InChIKey WDXRGPWQVHZTQJ-AUKWTSKRSA-N
SMILES O=C\1C[C@]2([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC[C@@]2(/C1=C\C)C)[H])[H])[H]
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing E-Guggulsterone (CHEBI:180961) has role androgen (CHEBI:50113)
E-Guggulsterone (CHEBI:180961) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Manual Xrefs Databases
4944297 ChemSpider
LSM-43186 LINCS
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Registry Number Type Source
39025-24-6 CAS Registry Number ChemIDplus