Term: | withanolide D |
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Accession: | CHEBI:10041
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Definition: | A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. |
Synonyms: | exact_synonym: | (4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione |
| related_synonym: | 4beta,20alpha-dihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide; Formula=C28H38O6; InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1; InChIKey=SASUFNRGCZMRFD-JCUIILOWSA-N; SMILES=CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |
| alt_id: | CHEBI:66324 |
| xref: | CAS:30655-48-2; KEGG:C08842; KNApSAcK:C00003677; PMID:1125091; PMID:17103214; PMID:17417907; PMID:20836852; PMID:22479585; PMID:22695853; Reaxys:5173298 |
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