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chaetomugilin h

  • Formula: C24H29ClO6

  • Molecular weight: 448.90

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

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chaetomugilin h

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Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: chaetomugilin h

  • First synonym: None

  • Synonyms: Chaetomugilin H,Methyl (6as)-5-chloro-8-((2R,3R)-3-hydroxybutan-2-yl)-6a-methyl-3-((1E,3S)-3-methylpent-1-en-1-yl)-6-oxo-6H,6ah,9ah-furo(2,3-H)isochromene-9-carboxylic acid,Methyl (6as)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6-oxo-6H,6ah,9ah-furo[2,3-H]isochromene-9-carboxylic acid,methyl (6aS,9aR)-5-chloro-8-((2R,3R)-3-hydroxybutan-2-yl)-6a-methyl-3-((E,3S)-3-methylpent-1-enyl)-6-oxo-9aH-furo(2,3-h)isochromene-9-carboxylate,methyl (6aS,9aR)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9aH-furo[2,3-h]isochromene-9-carboxylate,CHEBI:203139,1186371-18-5,methyl (6aS)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9aH-uro[2,3-h]isochromene-9-carboxylate

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Structure

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

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

  • Inchi: InChI=1S/C24H29ClO6/c1-7-12(2)8-9-15-10-16-17(11-30-15)19-18(23(28)29-6)21(13(3)14(4)26)31-24(19,5)22(27)20(16)25/h8-14,19,26H,7H2,1-6H3/b9-8+/t12-,13+,14+,19?,24-/m0/s1

  • Inchikey: XINDMVOXUMLKKE-VOSVUOCVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H29ClO6

  • Molecular weight: 448.90

  • Monoisotopic mass: 448.1652663

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