Crystal structure of (9S,10S)-10-ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10- tetrahydro-6H-benzo[c]-chromen-1-yl 4-methylbenzenesulfonate

被引：0

作者：

Gul, Waseem ^{[1
,2
]}

Galal, Ahmed ^{[1
]}

ElSohly, Mahmoud A. ^{[2
,3
]}

Carvalho, Paulo ^{[4
]}

机构：

[1] Univ Mississippi, Natl Ctr Nat Prod Res, University, MS 38677 USA

[2] El Sohly Labs Inc, Oxford, MS 38655 USA

[3] Univ Mississippi, Sch Pharm, Dept Pharmaceut, Natl Ctr Nat Prod Res, University, MS 38677 USA

[4] Notre Dame Maryland Univ, Sch Pharm, 4701 North Charles St, Baltimore, MD 21210 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

基金：

美国农业部;

关键词：

crystal structure; hydrogen bonding; Delta(9)-THC tosylate; photooxygenation;

D O I：

10.1107/S2056989015024044

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the structure of the title compound, C30H40O6S, the cyclohexene and heterocyclic rings are linked by a double bond. The cyclohexene ring has a half-chair conformation (the methylene group adjacent to the hydroxy substituent lies above the remaining atoms) and the hydroxy and ethoxy groups have equatorial and bisectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe2 C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)degrees. A long intramolecular C-H center dot center dot center dot S interaction is noted. In the molecular packing, hydroxy-O-H center dot center dot center dot O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C-H center dot center dot center dot O(sulfonate) and lead to supramolecular layers that lie parallel to (001). The studied crystal was an inversion twin.

引用

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页码：O1082 / U1410

页数：10

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