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Isochromophilone ii

  • Formula: C22H27ClO4

  • Molecular weight: 390.90

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl

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Isochromophilone ii

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

Names

  • Mycotoxin name: Isochromophilone ii

  • First synonym: Isochromophilone iia

  • Synonyms: Isochromophilone IIa,Isochromophilone II,154170-71-5,(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one,(7R-(3(1E,3E,5S*),7alpha,8alpha))-5-Chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-6H-2-benzopyran-6-one,5-Chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-6H-2-benzopyran-6-one (7R-(3(1E,3E,5S*),7alpha,8alpha))-,(7R,8R)-8-acetonyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8H-isochromen-6-one,6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-,6H-2-Benzopyran-6-one, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R-(3(1E,3E,5S*),7alpha,8alpha))-,6H-2-Benzopyran-6-one, 5-chloro-3-[(1E,3E,-5S)-3,5-dimethyl-1,3-heptadienyl]-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)- (7R,8R)

Identifiers / External links

  • CAS: 154170-71-5,224567-64-0

  • PubChem CID: 6438450

  • ChemSpiderID: 4942926

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:205435

Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl

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

  • Inchi: InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19+,22+/m0/s1

  • Inchikey: QEPMTPAOVMUVBT-VOQBEJNXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H27ClO4

  • Molecular weight: 390.90

  • Monoisotopic mass: 390.159787

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