Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
Basic information
- CAS
8065-91-6- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C.CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
VOGVEUAIIKVAOE-VEECZQFMSA-N- Molecular formula
- C44H55ClO6
- Average molar mass
- 715.4 g/mol
- Monoisotopic mass
- 714.3687172
Names & identifiers
- Preferred name
- Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- English name
- Ovosiston
- Molecular formula
- C44H55ClO6
- Molecular weight
- 715.37
Names & synonyms
8065-91-6RefChem:1096603Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-olOvosistonEstironaFemigenGestranolSequensSequence-OvosistonLutestral [French]AK 103S-3850
Show more names
SCHEMBL29391800[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Database identifiers
- CAS
8065-91-6- PubChem CID
- 66465
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,350
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Compound notes
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