NDLI: 3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate

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3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate

Content Provider	Semantic Scholar
Author	Piccialli, Vincenzo Oliviero, Giorgia Borbone, Nicola Centore, Roberto Tuzi, Angela
Copyright Year	2013
Abstract	The title compound, C31H48O7·0.04CH3COOH, is a polyoxy-genated steroid obtained by selective chemical oxidation of 7-de-hydro-cholesteryl acetate. The asymmetric unit comprises three mol-ecules of the steroid (Z' = 3) and a mol-ecule of acetic acid which has occupancy factor 0.131 (5). The geometric parameters of the independent mol-ecules do not reveal significant differences. In one mol-ecule, the terminal isopropyl group is disordered over two sets of sites with occupancy ratio 0.869 (5):0.131 (5). The three mol-ecules reveal different hydrogen-bonding patterns. Each of them is involved in an intra-molecular S(6) hydrogen-bonding motif, involving hy-droxy groups as donor and acceptor. In the crystal, two independent mol-ecules form dimers through hydrogen bonding between an OH donor and an acetate carbonyl acceptor, giving rise to R 2 (2)(16) ring patterns. A single hydrogen bond between the OH group and a ketone carbonyl group is observed between two symmetry-independent mol-ecules.
Starting Page	o879
Ending Page	o880
Page Count	1
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://ftp.ncbi.nlm.nih.gov/pub/pmc/38/26/e-69-0o879.PMC3685037.pdf
PubMed reference number	23795056
Alternate Webpage(s)	https://doi.org/10.1107/S1600536813012646
DOI	10.1107/s1600536813012646
Journal	Acta crystallographica. Section E, Structure reports online
Volume Number	69
Language	English
Access Restriction	Open
Subject Keyword	Acetic Acid Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone DUOXA1 gene H-Y Antigen Hydrogen Bonding Hydroxyl Radical KDM5D gene Ketones Mole, unit of measurement Protein Domain Pyschological Bonding Salicylic Acid 20 MG/ML Medicated Liquid Soap Steroids isopropyl medroxyprogesterone acetate oxidation
Content Type	Text
Resource Type	Article

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