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Oleanolic acid ethanol monosolvate.

ABSTRACT: CRYSTALS OF THE TITLE COMPOUND (SYSTEMATIC NAME: 3?-hy-droxy-olean-12-en-28-oic acid ethanol monosolvate), C(30)H(48)O(3)·C(2)H(5)OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid mol-ecules, as well as two ethanol solvent mol-ecules. Inter-molecular O-H?O hydrogen bonds stabilize the crystal packing. In the oleanolic acid mol-ecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol mol-ecules are orientationally disordered [occupancy ratios of 0.742?(8):0.258?(8) and 0.632?(12):0.368?(12).

SUBMITTER: Froelich A

PROVIDER: S-EPMC3009164 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Oleanolic acid ethanol monosolvate.

Froelich Anna A Gzella Andrzej K AK

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

CRYSTALS OF THE TITLE COMPOUND (SYSTEMATIC NAME: 3β-hy-droxy-olean-12-en-28-oic acid ethanol monosolvate), C(30)H(48)O(3)·C(2)H(5)OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid mol-ecules, as well as two ethanol solvent mol-ecules. Inter-molecular O-H⋯O hydrogen bonds stabilize the crystal packing. In the oleanolic acid mol-ecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E ...[more]

PMID: 21588987

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