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Molecule record

2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile

C20H25NO2

311.43 g/mol

Loading structure

Molecular properties

Formula
C20H25NO2
Molar mass
311.43 g·mol−1
Exact mass
311.1885 Da
9
PubChem CID
68861

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Ketone
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 17 alpha-cyanomethyl-17 beta-hydroxy-13 beta-methylgona-4,9-dien-3-one
  • 17 alpha-cyanomethyl-17 beta-hydroxyestra-4,9(10)-diene-3-one
  • 17-Hydroxy-3-oxo-19-nor-17alpha-pregna-4,9-diene-21-nitrile
  • 17-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one
  • 17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile
  • 19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17-alpha)-
  • 19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17alpha)-
  • 46M3EV8HHE
Show all 24 synonyms
  • 65928-58-7
  • CHEBI:70708
  • DTXCID101030584
  • DTXSID80891478
  • Dienogest
  • Dienogestrel
  • Dienogestril
  • Dienogestum
  • Endometrion
  • G03DB08
  • M 18575
  • MJR-35
  • RefChem:586937
  • STS 557
  • ZK 37659
  • [(17beta)-17-hydroxy-3-oxoestra-4,9-dien-17-yl]acetonitrile

Structure identifiers

Canonical SMILES
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N
Isomeric SMILES
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O
InChI
InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey
AZFLJNIPTRTECV-FUMNGEBKSA-N
PubChem CID
68861

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record