4-pregnen-3beta,20alpha-diol (CHEBI:85903)

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CHEBI:85903 - 4-pregnen-3β,20α-diol

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ChEBI ID	CHEBI:85903
ChEBI Name	4-pregnen-3β,20α-diol
Stars
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.
Last Modified	17 January 2023
Submitter	nhn
Downloads	Molfile

Formula	C21H34O2
Net Charge	0
Average Mass	318.501
Monoisotopic Mass	318.25588
SMILES	[H][C@@]12CCC3=C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)O
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

ChEBI Ontology

Outgoing Relation(s)
	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

Synonym	Source
(3β,20S)-pregn-4-ene-3,20-diol	IUPAC

UniProt Name	Source
3β,20α-dihydroxypregn-4-ene	UniProt

Registry Numbers	Sources
Reaxys:6277111	Reaxys

Citations