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Luteusin d

  • Formula: C25H29ClO6

  • Molecular weight: 460.90

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C4C(=O)OC(CC4(O3)O)C)C)Cl

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Luteusin d

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

  • Mycotoxin name: Luteusin d

  • First synonym: Luteusin d

  • Synonyms: Luteusin D,3-[(1E,3Z,5S)-3,5-Dimethyl-1,3-heptadienyl]-5-chloro-6aalpha,9alpha-dimethyl-7a-hydroxy-6a,7a,8,9,11abeta,11balpha-hexahydro-6H,11H-2,7,10-trioxa-7H-benzo[c]fluorene-6,11-dione

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Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C4C(=O)OC(CC4(O3)O)C)C)Cl

  • Isomeric smiles: CC[C@H](C)/C=C(/C)\C=C\C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@H]4C(=O)O[C@H](CC4(O3)O)C)C)Cl

  • Inchi: InChI=1S/C25H29ClO6/c1-6-13(2)9-14(3)7-8-16-10-17-18(12-30-16)19-20-23(28)31-15(4)11-25(20,29)32-24(19,5)22(27)21(17)26/h7-10,12-13,15,19-20,29H,6,11H2,1-5H3/b8-7+,14-9-/t13-,15-,19+,20-,24-,25?/m0/s1

  • Inchikey: ICFWHHFUXCQUBQ-GUHDVFQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H29ClO6

  • Molecular weight: 460.90

  • Monoisotopic mass: 460.1652663

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