(1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate
The title compound, C35H57NO3·0.25H2O, was synthesized from deoxycholic acid followed by a protection, a Mitsonobu substitution, a Staudinger reduction, formation of an amide and final reduction in the lateral chain. The compound crystallizes in the P1 space group with four steroid molecules and one...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-10-01
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314622009476 |
| _version_ | 1798043847138213888 |
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| author | Cristian Campos Fernandez R. Procupez-Schtirbu V. H. Soto-Tellini J. C. Salazar Vojtech Jancik |
| author_facet | Cristian Campos Fernandez R. Procupez-Schtirbu V. H. Soto-Tellini J. C. Salazar Vojtech Jancik |
| author_sort | Cristian Campos Fernandez |
| collection | DOAJ |
| description | The title compound, C35H57NO3·0.25H2O, was synthesized from deoxycholic acid followed by a protection, a Mitsonobu substitution, a Staudinger reduction, formation of an amide and final reduction in the lateral chain. The compound crystallizes in the P1 space group with four steroid molecules and one water molecule in the triclinic cell unit. The crystal structure features O—H...O hydrogen bonding. The crystal studied was refined as a non-merohedral twin. |
| first_indexed | 2024-04-11T22:54:42Z |
| format | Article |
| id | doaj.art-a494a2d64ebc41a6a194ef0b7006c1b0 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-11T22:54:42Z |
| publishDate | 2022-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-a494a2d64ebc41a6a194ef0b7006c1b02022-12-22T03:58:28ZengInternational Union of CrystallographyIUCrData2414-31462022-10-01710x22094710.1107/S2414314622009476bt4124(1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrateCristian Campos Fernandez0R. Procupez-Schtirbu1V. H. Soto-Tellini2J. C. Salazar3Vojtech Jancik4Escuela de Quimica, Universidad de Costa, Rica, San Jose, 2060, Costa RicaEscuela de Quimica, Laboratorio de Quimica Supramolecular, Universidad de Costa Rica, San Jose, 2060, Costa RicaEscuela de Quimica, Laboratorio de Quimica Supramolecular, Universidad de Costa Rica, San Jose, 2060, Costa RicaEscuela de Quimica, Laboratorio de Quimica Supramolecular, Universidad de Costa Rica, San Jose, 2060, Costa RicaCentro Conjunto de Investigacion en Quimica Sustentable UAE-UNAM, Carretera Toluca-Atlacomulco, km 14.5, Toluca, Mexico, 50200, MexicoThe title compound, C35H57NO3·0.25H2O, was synthesized from deoxycholic acid followed by a protection, a Mitsonobu substitution, a Staudinger reduction, formation of an amide and final reduction in the lateral chain. The compound crystallizes in the P1 space group with four steroid molecules and one water molecule in the triclinic cell unit. The crystal structure features O—H...O hydrogen bonding. The crystal studied was refined as a non-merohedral twin.http://scripts.iucr.org/cgi-bin/paper?S2414314622009476crystal structurebiological activitybile salts |
| spellingShingle | Cristian Campos Fernandez R. Procupez-Schtirbu V. H. Soto-Tellini J. C. Salazar Vojtech Jancik (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate IUCrData crystal structure biological activity bile salts |
| title | (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate |
| title_full | (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate |
| title_fullStr | (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate |
| title_full_unstemmed | (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate |
| title_short | (1S,3R)-N-{(3S,10S,12S,13R,17R)-12-Hydroxy-17-[(R)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate |
| title_sort | 1s 3r n 3s 10s 12s 13r 17r 12 hydroxy 17 r 5 hydroxypentan 2 yl 10 13 dimethylhexadecahydro 1h cyclopenta a phenanthren 3 yl adamantane 1 carboxamide 0 25 hydrate |
| topic | crystal structure biological activity bile salts |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314622009476 |
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