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CHEBI:145045 - 3β-hydroxy-16α,17α-epoxypregnenolone

ChEBI IDCHEBI:145045
ChEBI Name3β-hydroxy-16α,17α-epoxypregnenolone
Stars
ASCII Name3beta-hydroxy-16alpha,17alpha-epoxypregnenolone
DefinitionAn epoxy steroid that is pregnenolone which has an epoxy group whose oxygen is attached to the 16α and 17α-positions.
Last Modified29 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@]21C(C)=O
InChIInChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChIKeyUQVIXFCYKBWZPJ-XXHSLLPRSA-N
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a 20-oxo steroid (CHEBI:36885)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a C21-steroid (CHEBI:61313)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a epoxy steroid (CHEBI:145217)
3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045) is a sterol (CHEBI:15889)
Incoming Relation(s)
3β-hydroxy-16α,17α-epoxypregnenolone 3-β-D-glucoside (CHEBI:145046) has functional parent 3β-hydroxy-16α,17α-epoxypregnenolone (CHEBI:145045)
IUPAC Name 
3β-hydroxy-16α-16,17-epoxypregn-5-en-20-one
Synonyms  Source
16α,17α-epoxypregnenoloneChemIDplus
5-pregnen-16α,17α-epoxy-3β-ol-20-oneChemIDplus
3β-hydroxy-16α,17α-epoxy-5-pregnen-20-oneChemIDplus
16-α,17-α-epoxy-3-β-hydroxypregn-5-en-20-oneChemIDplus
16α,17α-oxidopregnenoloneChemIDplus
16α,17α-epoxy-3β-hydroxy-5-pregnen-20-oneChemIDplus
UniProt Name  Source
3β-hydroxy-16α,17α-epoxypregnenoloneUniProt
Registry NumbersSources
CAS:974-23-2ChemIDplus
Citations