Oraconal
Basic information
- CAS
8064-66-2- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C.CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
NIXVMBBZNVOBHS-ASRKUVFVSA-N- Molecular formula
- C44H56O6
- Average molar mass
- 680.9 g/mol
- Monoisotopic mass
- 680.4076895
Names & identifiers
- Preferred name
- Oraconal
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-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-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
NuvaconNeodelpregninOraconalKombiquensMegethinylMenoquensSerialVoldysSerial CNovacyclin 22Ethynylestradiol-magestrol acetateNSC 84404
Show more names
SCHEMBL29757965Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
Database identifiers
- CAS
8064-66-2- PubChem CID
- 66446
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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