Basic information
- CAS
53568-84-6- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4[C@H]3CC[C@@]21C.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C- InChIKey
NAPPWIFDUAHTRY-FKHULPEPSA-N- Molecular formula
- C40H50O4
- Average molar mass
- 594.8 g/mol
- Monoisotopic mass
- 594.37091007
Names & identifiers
- Preferred name
- Amenorone forte
- IUPAC
- (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-, and 19-nor-17-alpha-preg na-1,3,5(10)-trien-20-yne-3,17-diol (1:1000)
- Molecular formula
- C21H28O2.C20H24O2
- Molecular weight
- 608.858
Names & synonyms
53568-84-6Amenorone forteEthinylestradiol and ethisterone (1:1000)Ethisterone and ethinylestradiol (1000:1)DTXSID90201786(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-, and 19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol (1:1000)Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol(10xi)-17-Hydroxy-17alpha-19-norpregn-4-en-20-yn-3-one--17alpha-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol (1/1)17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy-, and 19-nor-17-alpha-preg na-1,3,5(10)-trien-20-yne-3,17-diol (1:1000)
Database identifiers
- CAS
53568-84-6- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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