Crystal and molecular structures of boldenone and four boldenone steroid esters
| Autor: | Maria O. Miclăuș, Alexandru Turza, Gheorghe Borodi, Aurel Pop |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Stereochemistry
Chemistry medicine.medical_treatment 02 engineering and technology Boldenone 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Steroid Inorganic Chemistry Crystal medicine General Materials Science 0210 nano-technology medicine.drug |
| Zdroj: | Zeitschrift für Kristallographie - Crystalline Materials. 234:671-683 |
| ISSN: | 2196-7105 2194-4946 |
| DOI: | 10.1515/zkri-2019-0030 |
| Popis: | Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, boldenone acetate, boldenone propionate, boldenone cypionate and a boldenone acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces and fingerprint plots breakdown revealed that the molecular packing in the crystals are driven by dominant H⋯H intermolecular contacts, followed by O⋯H/H⋯O contacts and to a lesser degree C⋯H/H⋯C contacts. The steroid skeleton rings, for all the reported compounds, adopt the following conformation: planar in A, chair in B and C, whereas C(13) envelope conformations are found for the five-membered D rings. The total lattice energies were calculated as a sum of four terms (Coulombic, polarization, dispersion, repulsion). |
| Databáze: | OpenAIRE |
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