19-Noretiocholanolone

What is 19-Noretiocholanolone?

19-Noretiocholanolone

• It is a metabolite of nandrolone (19-nortestosterone) and bolandione (19-norandrostenedione) that is formed by 5α-reductase.
• IUPAC Name: (3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one
• InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,18+/m1/s1
• InChI Key: UOUIARGWRPHDBX-DHMVHTBWSA-N
• Canonical SMILES: CC12CCC3C4CCC(CC4CCC3C1CCC2=O)O
• Isomeric SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CCC2=O)O
• Molecular formula: C18H28O2
• Molecular weight: 276.4 g·mol−1
• PubChem CID: 14009228
• Synonyms:

1. 5beta-19-noretiocholanolone
2. UNII-O5Z6602I6U
3. O5Z6602I6U
4. 3alpha-Hydroxy-5beta-estran-17-one
5. 33036-33-8
6. 5beta-estran-3alpha-ol-17-one
7. 5b-Estran-3a-ol-17-one
8. 3a-hydroxy-5b-Estran-17-one
9. SCHEMBL1802861
10. 19-Noretiocholan-3a-ol-17-one
11. ZINC6067696
12. 19-Noretiocholan-3alpha-ol-17-one
13. (3a,5b)-3-hydroxy-Estran-17-one
14. (3alpha,5beta)-3-Hydroxyestran-17-one
15. Estran-17-one, 3-hydroxy-, (3alpha,5beta)-
16. Q27285374
17. (1R,2S,5R,7R,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
18. (3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one

References

‎