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Molecule record

(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

C22H30O3

342.48 g/mol

Loading structure

Molecular properties

Formula
C22H30O3
Molar mass
342.48 g·mol−1
Exact mass
342.2195 Da
8
PubChem CID
19090

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Ketone

Physical properties

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

Common names and synonyms

  • 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione
  • 222-628-6
  • 3562-63-8
  • CHEBI:6722
  • Chronopil
  • Chronopil (TN)
  • Compound 5071
  • DTXCID001436159
Show all 24 synonyms
  • DTXSID001009330
  • EA6LD1M70M
  • EINECS 222-628-6
  • G03AC05
  • G03DB02
  • HSDB 3233
  • L02AB01
  • Megestrol (Acetate)
  • Megestrol (INN)
  • Megestrol Acetate EP Impurity B
  • Megestrol [INN:BAN]
  • Megestrolo
  • Megestrolum
  • Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
  • RefChem:55564
  • megestrol

Structure identifiers

Canonical SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
Isomeric SMILES
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
InChI
InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1
InChIKey
VXIMPSPISRVBPZ-NWUMPJBXSA-N
PubChem CID
19090

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 (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one; 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