Term: | withalongolide J |
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Accession: | CHEBI:69114
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Definition: | A withanolide saponin that consists of 22,26-epoxyergosta-5,24-dien-28-ol substituted by additional hydroxy groups at positions 1, 3 and 19, an oxo group at position 26 and a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the aerial parts of Physalis longifolia. |
Synonyms: | exact_synonym: | (22R)-1alpha,3beta,19-trihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-28-yl beta-D-glucopyranoside |
| related_synonym: | 28-O-beta-D-glucopyranosyl-1alpha,3beta,19-trihydroxywitha-5,24-dienolide; Formula=C34H52O11; InChI=1S/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1; InChIKey=JDYYLQIQTRWVFW-ILJUDCBVSA-N; SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1 |
| xref: | PMID:22098611; Reaxys:22217722 |
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