Basic information
- CAS
109852-02-0- Standard SMILES
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C- InChIKey
WNSDZLZVSSOOCA-WOMZHKBXSA-N- Molecular formula
- C41H50O4
- Average molar mass
- 606.8 g/mol
- Monoisotopic mass
- 606.37091007
Names & identifiers
- Preferred name
- Ethinyl estradiol mixture with Gestodene
- IUPAC
- (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[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
- Femovan
- Molecular formula
- C41H50O4
- Molecular weight
- 606.85
Names & synonyms
RefChem:1084630FemovanFemodeneMinuletShd 415G109852-02-0MicrogesteHarmonetMelianeMelodeneMirelleSHD415G
Show more names
Gestodene/EEEthinylestradiol/gestodeneSCHEMBL1650050BAY86-5016BAY 86-501618,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
Database identifiers
- CAS
109852-02-0- PubChem CID
- 67387
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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