Term: | tubocapsanolide A |
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Accession: | CHEBI:66325
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Definition: | A withanolide that is 5beta,6beta:16alpha,17alpha-diepoxywitha-2,24-dienolide substituted by a hydroxy group at position 4 and an oxo group at position 1. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity. |
Synonyms: | exact_synonym: | (4beta,5beta,6beta,16alpha,17alpha)-17-{(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-4-hydroxy-5,6:16,17-diepoxyandrost-2-en-1-one |
| related_synonym: | 5beta,6beta:16alpha,17alpha-diepoxy-4beta-hydroxy-1-oxo-witha-2,24-dienolide; Formula=C28H36O6; InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1; InChIKey=RQGXOMVMGPVOQK-KAUDDYPASA-N; SMILES=[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@@H](C)[C@@]12O[C@]1([H])C[C@@]1([H])[C@]3([H])C[C@@]4([H])O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]21C |
| xref: | PMID:17417907; PMID:17513606; PMID:19049961; Reaxys:11130280 |
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