CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE
ABSTRACT The structure of this 14α-acetoxy-13α-hydroxymulin-11-en-20-oic acid monohydrate consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl and ac...
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Sociedad Chilena de Química
2018
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oai:scielo:S0717-970720180001038842018-05-11CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATEBrito,ivánBorquez,JorgeMuñoz,RubenCárdenas,Alejandro mulinane diterpenoid Azorella compacta X-ray diffraction crystal and supramolecular structure ABSTRACT The structure of this 14α-acetoxy-13α-hydroxymulin-11-en-20-oic acid monohydrate consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl and acetoxy groups at C13 and C-14 are α-oriented. The cyclopentane (A), cyclohexane (B) and cycloheptene (C) rings are trans (A/B) and (B/C) cis fused, and in an envelope, chair, and twist conformation respectively. In the crystal the organic molecules are linked by the water molecules by two intermolecular О—H…O hydrogen bond forming 1D-dimensional chains with graph-set notation (9).info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.63 n.1 20182018-03-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103884en10.4067/s0717-97072018000103884 |
| institution |
Scielo Chile |
| collection |
Scielo Chile |
| language |
English |
| topic |
mulinane diterpenoid Azorella compacta X-ray diffraction crystal and supramolecular structure |
| spellingShingle |
mulinane diterpenoid Azorella compacta X-ray diffraction crystal and supramolecular structure Brito,iván Borquez,Jorge Muñoz,Ruben Cárdenas,Alejandro CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| description |
ABSTRACT The structure of this 14α-acetoxy-13α-hydroxymulin-11-en-20-oic acid monohydrate consists of a mulinane skeleton and the corresponding isopropyl, methyl, carboxyl and methyl groups at C3, C8, C5, C13, respectively, which are β-oriented, whereas the hydroxyl and acetoxy groups at C13 and C-14 are α-oriented. The cyclopentane (A), cyclohexane (B) and cycloheptene (C) rings are trans (A/B) and (B/C) cis fused, and in an envelope, chair, and twist conformation respectively. In the crystal the organic molecules are linked by the water molecules by two intermolecular О—H…O hydrogen bond forming 1D-dimensional chains with graph-set notation (9). |
| author |
Brito,iván Borquez,Jorge Muñoz,Ruben Cárdenas,Alejandro |
| author_facet |
Brito,iván Borquez,Jorge Muñoz,Ruben Cárdenas,Alejandro |
| author_sort |
Brito,iván |
| title |
CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| title_short |
CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| title_full |
CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| title_fullStr |
CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| title_full_unstemmed |
CRYSTAL AND MOLECULAR STRUCTURE OF 14α-ACETOXY-13α-HYDROXYMULIN-11-EN-20-OIC ACID MONOHYDRATE |
| title_sort |
crystal and molecular structure of 14α-acetoxy-13α-hydroxymulin-11-en-20-oic acid monohydrate |
| publisher |
Sociedad Chilena de Química |
| publishDate |
2018 |
| url |
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103884 |
| work_keys_str_mv |
AT britoivan crystalandmolecularstructureof14945acetoxy13945hydroxymulin11en20oicacidmonohydrate AT borquezjorge crystalandmolecularstructureof14945acetoxy13945hydroxymulin11en20oicacidmonohydrate AT munozruben crystalandmolecularstructureof14945acetoxy13945hydroxymulin11en20oicacidmonohydrate AT cardenasalejandro crystalandmolecularstructureof14945acetoxy13945hydroxymulin11en20oicacidmonohydrate |
| _version_ |
1714200923047198720 |