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M  END
> <ID>
CHEBI:89524

> <NAME>
epietiocholanolone

> <DEFINITION>
A 3β-hydroxy steroid that is 5β-androstane substituted by a hydroxy group at position 3β and an oxo group at position 17. It is a metabolite of testosterone.

> <STAR>
3

> <SYNONYM>
etiocholan-3beta-ol-17-one; epiaetiocholanolone; epi-5beta-androsterone; beta-etiocholanolone; 5beta-epiandrosterone; 5beta-androstane-3beta-ol-17-one; 5beta-androstan-3beta-ol-17-one; 3beta-hydroxyetiocholan-17-one; 3-beta-hydroxy-5-beta-androstane-17-one; 3beta-hydroxy-5beta-androstane-17-one; 3beta-hydroxy-17-oxo-5beta-androstane; 3beta-etiocholanolone; (3beta,5beta)-3-hydroxyandrostan-17-one

> <IUPAC_NAME>
3beta-hydroxy-5beta-androstan-17-one

> <FORMULA>
C19H30O2

> <MASS>
290.441

> <MONOISOTOPIC_MASS>
290.22458

> <CHARGE>
0

> <SMILES>
[C@@H]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)O

> <INCHI>
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1

> <INCHIKEY>
QGXBDMJGAMFCBF-XRJZGPCZSA-N

> <CAS_REGISTRY_NUMBER>
571-31-3

> <CHEMIDPLUS>
571-31-3

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02020104

> <NIST_CHEMISTRY_WEBBOOK>
571-31-3

> <WIKIPEDIA_ACCESSION>
Epietiocholanolone

> <PUBMED_CITATION>
10564538; 1248804; 12604203; 12881455; 129324; 17716701; 2741916; 301822; 3148796; 4263034; 743993

$$$$