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CAS 549-23-5

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Sclerotiorin

Description:
Sclerotiorin, with the CAS number 549-23-5, is a naturally occurring compound classified as a secondary metabolite produced by certain fungi, particularly those in the genus Sclerotinia. It is known for its role in plant-pathogen interactions, exhibiting antifungal properties that can inhibit the growth of various microorganisms. Sclerotiorin is characterized by its complex molecular structure, which includes multiple functional groups that contribute to its biological activity. The compound is typically found in the form of a white to pale yellow crystalline solid, and it is soluble in organic solvents such as ethanol and methanol, but less soluble in water. Its chemical properties make it of interest in both agricultural and pharmaceutical research, particularly for its potential applications in developing natural fungicides or as a model for synthetic analogs. Additionally, studies have indicated that sclerotiorin may possess cytotoxic effects, warranting further investigation into its mechanisms of action and potential therapeutic uses.
Formula:C21H23ClO5
InChI:InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1
InChI key:InChIKey=SWJLTKXURNHVHE-UPWXJBBJSA-N
SMILES:O=C1C=2C(=C(Cl)C(=O)[C@@]1(OC(C)=O)C)C=C(/C=C/C(=C/[C@H](CC)C)/C)OC2
Synonyms:
  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-, (7R)-
  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-methyl-, [R-[R*,S*-(E,E)]]-
  • 6H-2-Benzopyran-6,8(7H)-dione, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-hydroxy-7-methyl-, acetate
  • 6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-7-methyl-, (7R)-
  • Sclerotiorin
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Found 4 products.