CHEBI:85903 - 4-pregnen-3β,20α-diol

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ChEBI Name 4-pregnen-3β,20α-diol ChEBI ID CHEBI:85903 ChEBI ASCII Name 4-pregnen-3beta,20alpha-diol Definition A C21-steroid in which a pregnane skeleton carries a β-hydroxy group at position 3, an α-hydroxy group at position 20 and a double bond between positions 4 and 5. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 318.49350 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/h12-13,15-19,22-23H,4-11H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1 InChIKey IBMZAHKIAAJREF-YZXCLFAISA-N SMILES C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ChEBI Ontology Outgoing 4-pregnen-3β,20α-diol (CHEBI:85903) has functional parent progesterone (CHEBI:17026) 4-pregnen-3β,20α-diol (CHEBI:85903) is a 20-hydroxy steroid (CHEBI:36854) 4-pregnen-3β,20α-diol (CHEBI:85903) is a 3β-hydroxy steroid (CHEBI:36836) 4-pregnen-3β,20α-diol (CHEBI:85903) is a C21-steroid (CHEBI:61313) IUPAC Name (20S)-pregn-4-ene-3β,20-diol Synonyms Sources (3β,20S)-pregn-4-ene-3,20-diol IUPAC 3β,20α-dihydroxypregn-4-ene UniProt Registry Number Type Source 6277111 Reaxys Registry Number Reaxys Citation Type Source 12732193 PubMed citation SUBMITTER Last Modified 17 January 2023