(3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate
The title compound, C34H52N2O7·CH4O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a pentacyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812012561 |
| _version_ | 1828129870237925376 |
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| author | Laszlo Czollner Ulrich Jordis Kurt Mereiter |
| author_facet | Laszlo Czollner Ulrich Jordis Kurt Mereiter |
| author_sort | Laszlo Czollner |
| collection | DOAJ |
| description | The title compound, C34H52N2O7·CH4O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a pentacyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring in a half-chair conformation. This moiety is substituted by a nitrate ester group and an O-ethylglycine group. In the crystal, the nonsolvent molecules are packed parallel to (010) in a herringbone fashion with the nitrato, ethylglycine and methanol-O atom being proximate. The methanol solvent molecule is anchored via a donated O—H...Oacyl and an accepted N—H...O hydrogen bond, giving rise to infinite zigzag chains of hydrogen bonds parallel to [100]. Two weak intermolecular C—H...O interactions to the methanol and to an acyl oxygen establish links along [100] and [010], respectively. |
| first_indexed | 2024-04-11T16:25:12Z |
| format | Article |
| id | doaj.art-132ae65d95b142f6b2595e1c685fd07e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:25:12Z |
| publishDate | 2012-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-132ae65d95b142f6b2595e1c685fd07e2022-12-22T04:14:10ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684o1229o123010.1107/S1600536812012561(3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvateLaszlo CzollnerUlrich JordisKurt MereiterThe title compound, C34H52N2O7·CH4O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a pentacyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring in a half-chair conformation. This moiety is substituted by a nitrate ester group and an O-ethylglycine group. In the crystal, the nonsolvent molecules are packed parallel to (010) in a herringbone fashion with the nitrato, ethylglycine and methanol-O atom being proximate. The methanol solvent molecule is anchored via a donated O—H...Oacyl and an accepted N—H...O hydrogen bond, giving rise to infinite zigzag chains of hydrogen bonds parallel to [100]. Two weak intermolecular C—H...O interactions to the methanol and to an acyl oxygen establish links along [100] and [010], respectively.http://scripts.iucr.org/cgi-bin/paper?S1600536812012561 |
| spellingShingle | Laszlo Czollner Ulrich Jordis Kurt Mereiter (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate Acta Crystallographica Section E |
| title | (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate |
| title_full | (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate |
| title_fullStr | (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate |
| title_full_unstemmed | (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate |
| title_short | (3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate |
| title_sort | 3 amp 946 18 amp 946 20 amp 946 n ethoxycarbonylmethyl 3 nitrato 11 oxoolean 12 ene 29 carboxamide methanol monosolvate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812012561 |
| work_keys_str_mv | AT laszloczollner 3amp94618amp94620amp946nethoxycarbonylmethyl3nitrato11oxoolean12ene29carboxamidemethanolmonosolvate AT ulrichjordis 3amp94618amp94620amp946nethoxycarbonylmethyl3nitrato11oxoolean12ene29carboxamidemethanolmonosolvate AT kurtmereiter 3amp94618amp94620amp946nethoxycarbonylmethyl3nitrato11oxoolean12ene29carboxamidemethanolmonosolvate |