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seco-chaetomugilin A

  • Formula: C24H31ClO8

  • Molecular weight: 482.90

  • Smiles: CC(C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(O3)(C(C)C(C)O)O)C(=O)OC)C)Cl)C(C)O

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seco-chaetomugilin A

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: seco-chaetomugilin A

  • First synonym: None

  • Synonyms: Seco-Chaetomugilin A,Methyl (6as,8R,9R,9as)-5-chloro-8-hydroxy-3-((1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl)-8-((2R,3R)-3-hydroxybutan-2-yl)-6a-methyl-6-oxo-6H,6ah,8H,9H,9ah-furo(2,3-H)isochromene-9-carboxylic acid,Methyl (6as,8R,9R,9as)-5-chloro-8-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-6-oxo-6H,6ah,8H,9H,9ah-furo[2,3-H]isochromene-9-carboxylic acid,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-((2R,3R)-3-hydroxybutan-2-yl)-3-((E,3R,4R)-4-hydroxy-3-methylpent-1-enyl)-6a-methyl-6-oxo-9,9a-dihydrofuro(2,3-h)isochromene-9-carboxylate,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-6-oxo-9,9a-dihydrofuro[2,3-h]isochromene-9-carboxylate,CHEBI:206163,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-6-oxo-9,9a-dihydrouro[2,3-h]isochromene-9-carboxylate

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Structure

  • Smiles: CC(C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(O3)(C(C)C(C)O)O)C(=O)OC)C)Cl)C(C)O

  • Isomeric smiles: C[C@H](/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@H]([C@](O3)([C@H](C)[C@@H](C)O)O)C(=O)OC)C)Cl)[C@@H](C)O

  • Inchi: InChI=1S/C24H31ClO8/c1-11(13(3)26)7-8-15-9-16-17(10-32-15)18-19(22(29)31-6)24(30,12(2)14(4)27)33-23(18,5)21(28)20(16)25/h7-14,18-19,26-27,30H,1-6H3/b8-7+/t11-,12-,13-,14-,18-,19+,23+,24-/m1/s1

  • Inchikey: FROQHXMNGOHAAZ-NCCWVHROSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H31ClO8

  • Molecular weight: 482.90

  • Monoisotopic mass: 482.1707456

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