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7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one.

ABSTRACT: In the title compound, C18H22O4, the cyclo-hexane and cyclo-hexa-none rings adopt normal chair and half-chair conformations, respectively. The dioxolane ring is almost planar, with an r.m.s. deviation of 0.094?(3)?Å. In the crystal, mol-ecules are connected by O-H?O hydrogen bonds, forming 21 helical chains along the a-axis direction. The chains are further connected by C-H?O hydrogen bonds.

SUBMITTER: Li J

PROVIDER: S-EPMC4051080 | BioStudies | 2014-01-01T00:00:00Z

REPOSITORIES: biostudies

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(-)-(1S,5R)-2-Oxabicyclo-[3.3.1]nonan-3-one.

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Triamcinolone acetonide acetate.

Project description:IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4b-fluoro-5-hy-droxy-4a,6a,8,8-tetra-methyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodeca-hydro-7,9-dioxa-penta-leno[2,1-a]phenanthren-6b-yl)-2-oxoethyl acetate], C(26)H(33)FO(7), the mol-ecules are connected by inter-molecular O-H?O hydrogen bonds into an infinite supra-molecular chain along the b axis. The mol-ecular framework consists of five condensed rings, including three six-membered rings and two five-membered rings. The cyclo-hexa-2,5-dienone ring is nearly planar [maximum deviation = 0.013?(3)?Å], while the cyclo-hexane rings adopt chair conformations. The two five-membered rings, viz. cyclo-pentane and 1,3-dioxolane, display envelope conformations.

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