Basic information
- CAS
26858-97-9- Standard SMILES
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](OC(=O)C45CC6CC(CC(C6)C4)C5)CC[C@H]3[C@@H]21- InChIKey
QCBYAXNYWXOITP-WDIPBVPFSA-N- Molecular formula
- C30H42O3
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.3133952
Names & identifiers
- Preferred name
- 7-alpha-Methyl-19-nortestosterone 17-(1-adamantoate)
- IUPAC
- [(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylate
Names & synonyms
26858-97-97-alpha-Methyl-19-nortestosterone 17-(1-adamantoate)RefChem:105771Estr-4-en-3-one, 17beta-hydroxy-7alpha-methyl-, 1-adamantanecarboxylate[(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] adamantane-1-carboxylateDTXSID409496461-Adamantanecarboxylic acid, ester with 17beta-hydroxy-7alpha-methylestr-4-en-3-one7-Methyl-3-oxoestr-4-en-17-yl adamantane-1-carboxylate7alpha-Methyl-3-oxoestr-4-en-17beta-yl adamantane-1-carboxylateEstr-4-en-3-one, 7-methyl-17-((tricyclo(3.3.1.13,7)dec-1-ylcarbonyl)oxy)-, (7alpha,17beta)-
Database identifiers
- CAS
26858-97-9- PubChem CID
- 64247
- DTXSID
DTXSID40949646
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 859
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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