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Deoxyfusapyrone

  • Formula: C34H54O8

  • Molecular weight: 590.80

  • Smiles: CCCCCCC(C)CC(=CC(C)C=C(C)C=CC(C(C)(C)C1=CC(=C(C(=O)O1)C2C(C(CC(O2)CO)O)O)O)O)C

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Deoxyfusapyrone

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

  • Mycotoxin name: Deoxyfusapyrone

  • First synonym: Deoxyfusapyrone

  • Synonyms: Deoxyfusapyrone,Deoxyneofusapyrone,156856-32-5,3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyloctadeca-4,6,9-trien-2-yl]pyran-4-one,CHEMBL593901,rel-3-((2S,3R,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-2-hydroxy-6-((4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyloctadeca-4,6,9-trien-2-yl)-4H-pyran-4-one

Identifiers / External links

Structure

  • Smiles: CCCCCCC(C)CC(=CC(C)C=C(C)C=CC(C(C)(C)C1=CC(=C(C(=O)O1)C2C(C(CC(O2)CO)O)O)O)O)C

  • Isomeric smiles: CCCCCCC(C)C/C(=C\C(C)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=C(C(=O)O1)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O)O)/C

  • Inchi: InChI=1S/C34H54O8/c1-8-9-10-11-12-21(2)15-23(4)17-24(5)16-22(3)13-14-28(38)34(6,7)29-19-26(36)30(33(40)42-29)32-31(39)27(37)18-25(20-35)41-32/h13-14,16-17,19,21,24-25,27-28,31-32,35-39H,8-12,15,18,20H2,1-7H3/b14-13+,22-16+,23-17-/t21?,24?,25-,27-,28?,31+,32-/m0/s1

  • Inchikey: MRMMGDLQIQYRDA-PWVYRXAXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H54O8

  • Molecular weight: 590.80

  • Monoisotopic mass: 590.38186868

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