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RP 1551-4

  • Formula: C25H29ClO6

  • Molecular weight: 460.90

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

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RP 1551-4

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

Names

  • Mycotoxin name: RP 1551-4

  • First synonym: Antibiotic

  • Synonyms: RP-1551-4,(6aS,9S,9aS)-5-chloro-3-((1E,3E)-3,5-dimethylhepta-1,3-dienyl)-9-(3-hydroxybutanoyl)-6a-methyl-9,9a-dihydrofuro(2,3-h)isochromene-6,8-dione,(6aS,9S,9aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-9-(3-hydroxybutanoyl)-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione,CHEBI:220926,(6aS,9S,9aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-9-(3-hydroxybutanoyl)-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione

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Structure

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

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

  • Inchi: InChI=1S/C25H29ClO6/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-31-16)21-20(19(28)10-15(4)27)24(30)32-25(21,5)23(29)22(17)26/h7-9,11-13,15,20-21,27H,6,10H2,1-5H3/b8-7+,14-9+/t13?,15?,20-,21-,25+/m1/s1

  • Inchikey: GZKZGQBQFWIDTD-WVRAITJISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H29ClO6

  • Molecular weight: 460.90

  • Monoisotopic mass: 460.1652663

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