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M  END
> <ID>
CHEBI:1712

> <NAME>
3alpha-hydroxy-5beta-pregnan-20-one

> <DEFINITION>
The 3α-stereoisomer of 3-hydroxy-5β-pregnan-20-one.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:88767

> <SYNONYM>
pregnanolone; pregnan-3alpha-ol-20-one; 3alpha-Hydroxy-5beta-pregnane-20-one; 3-alpha-hydroxy-5-beta-pregnan-20-one; 1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethanone; (3alpha,5beta)-3-hydroxypregnan-20-one

> <IUPAC_NAME>
3alpha-hydroxy-5beta-pregnan-20-one

> <INN>
eltanolonum; eltanolone; eltanolona

> <FORMULA>
C21H34O2

> <MASS>
318.501

> <MONOISOTOPIC_MASS>
318.25588

> <CHARGE>
0

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

> <INCHIKEY>
AURFZBICLPNKBZ-YZRLXODZSA-N

> <CAS_REGISTRY_NUMBER>
128-20-1

> <REAXYS_REGISTRY_NUMBER>
3211364

> <CHEMIDPLUS>
128-20-1

> <KEGG_COMPOUND_ACCESSION>
C05480

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02030175

> <NIST_CHEMISTRY_WEBBOOK>
128-20-1

> <PDBECHEM_ACCESSION>
P9N

> <WIKIPEDIA_ACCESSION>
Pregnanolone

> <PUBMED_CITATION>
10335907; 10958114; 14640542; 15358441; 15828844; 15935549; 23949204; 25620274; 27833556; 28991263; 33757421; 33988248; 8470788; 9610934; 9651164; 16720657

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