CHEBI:50171 - 3-hydroxy-5β-pregnan-20-one

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ChEBI Name 3-hydroxy-5β-pregnan-20-one ChEBI ID CHEBI:50171 ChEBI ASCII Name 3-hydroxy-5beta-pregnan-20-one Definition The 5β-stereoisomer of 3-hydroxypregnan-20-one. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H34O2 Net Charge 0 Average Mass 318.49346 Monoisotopic Mass 318.25588 InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16+,17-,18+,19+,20+,21-/m1/s1 InChIKey AURFZBICLPNKBZ-IYEURWCSSA-N SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(O)C2 ChEBI Ontology Outgoing 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) has parent hydride 5β-pregnane (CHEBI:20674) 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) is a 3-hydroxypregnan-20-one (CHEBI:50168) Incoming 3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) 3β-hydroxy-5β-pregnan-20-one (CHEBI:16229) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171) IUPAC Name 3-hydroxy-5β-pregnan-20-one Registry Number Type Source 4785659 Beilstein Registry Number Beilstein Last Modified 10 February 2015