Abstract

In the crystal structure of the title compound {systematic name: (1′S,2R,2′R,3′S,6′R)-3′-ethyl-4-methyl-5H-5′-oxa-10′-aza­spiro­[furan-2,4′-tricyclo­[8.3.0.02,6]trideca­ne]-5,11′-dione hemihydrate}, C17H23NO4·0.5H2O, the asymmetric unit contains two mol­ecules of tuberostemoamide with similar conformations and one water mol­ecule. The tuberostemoamide mol­ecule is composed of one seven-membered ring (A) and three five-membered rings (B, C and D). Ring A exists in a chair conformation, both rings B and C exist in envelope conformations, and ring D is almost planar with a mean deviation of 0.0143 (4) Å in one molecule and 0.0095 (3) Å in the other.. The dihedral angles between the planes of rings C and D are 75.1 (3)° in one mol­ecule and 74.5 (3)° for the other. The solvent water mol­ecule links the tuberostemoamide mol­ecules through O—H⋯O(ketone) hydrogen bonds. Weak C—H⋯O inter­actions are also present, involving both the water mol­ecule and a heterocyclic ether O-atom acceptor.

Highlights

  • Guangdong Province Key Laboratory of Pharmacodynamic Constituents of, Traditional Chinese Medicine and New Drugs Research, Institute of Traditional

  • The tuberostemoamide molecule is composed of one seven-membered ring (A)

  • We report the structure of tuberostemoamide hemihydrate

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Summary

Tuberostemoamide hemihydrate

Guangdong Province Key Laboratory of Pharmacodynamic Constituents of, Traditional Chinese Medicine and New Drugs Research, Institute of Traditional. Chinese Medicine and Natural Products, Jinan University, Guangzhou 510632, People’s Republic of China, and bSchool of Biological Sciences, The Chinese. In the crystal structure of the title compound {systematic name: (10 S,2R,20 R,30 S,60 R)-30 -ethyl-4-methyl-5H-50 -oxa-100 azaspiro[furan-2,40 -tricyclo[8.3.0.02,6]tridecane]-5,110 -dione hemihydrate}, C17H23NO40.5H2O, the asymmetric unit contains two molecules of tuberostemoamide with similar conformations and one water molecule. The tuberostemoamide molecule is composed of one seven-membered ring (A). Three five-membered rings (B, C and D). The dihedral angles between the planes of rings C and D are 75.1 (3) in one molecule and 74.5 (3) for the other. The solvent water molecule links the tuberostemoamide molecules through O—H O(ketone) hydrogen bonds. C—H O interactions are present, involving both the water molecule and a heterocyclic ether O-atom acceptor

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