Basic information
- CAS
3000-39-3- Standard SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
FLGJKPPXEKYCBY-AKCFYGDASA-N- Molecular formula
- C27H36O3
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.26644501
Overview
Quingestanol acetate is a steroid ester.
Names & identifiers
- Preferred name
- Quingestanol Acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- English name
- 3-(cyclopentyloxy)-19-nor-17alpha-pregna-3,5-dien-20-yn-17-yl acetate
- Molecular formula
- C27H36O3
- Molecular weight
- 408.57294
Names & synonyms
QUINGESTANOL ACETATE3000-39-3W 4540M33GGZ63KGNorethindrone acetate 3-cyclopentyl enol etherBRN 2186975W-45403-Cyclopentyl enol ether of norethindrone acetateDTXSID5095240919-Nor-17-alpha-pregna-3,5-dien-20-yn-17-ol, 3-(cyclopentyloxy)-, acetate (ester)19-Nor-17-alpha-pregna-3,5-dien-20-yn-17-ol, 3-(cyclopentyloxy)-, acetate19-Norpregna-3,5-dien-20-yn-17-ol, 3-(cyclopentyloxy)-, acetate, (17alpha)-
Show more names
QUINGESTRONE ACETATE3-(cyclopentyloxy)-19-nor-17alpha-pregna-3,5-dien-20-yn-17-yl acetate[(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoateacetic acid [(8R,9S,10R,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
RefChem:178190DTXCID801380499W4540(1R,3aS,3bR,9aR,9bS,11aS)-7-(cyclopentyloxy)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl acetate221-078-4Quingestanol acetate [USAN][(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate3-(Cyclopentyloxy)-19-nor-17alpha-pregna-3,5-dien-20-yn-17-ol acetate
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 822
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 183 °C · 183°C
- Boiling point
- 469.08 °C · 469.08°C (rough estimate)
- Density
- 1.087 · 1.0870 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- FDA UNII
- 33 GGZ63KG · M33GGZ63KG
Chemistry & industry
Applications
UsesProgestin.
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Quingestanol acetate is a steroid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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