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nafuredin

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Smiles: CCC(C)C=CC=C(C)CC(C)C=CC=CC1C2(C(O2)C(C(=O)O1)O)C

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nafuredin

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

  • Mycotoxin name: nafuredin

  • First synonym: Nafuredin

  • Synonyms: nafuredin,UNII-4J6NV9S26K,4J6NV9S26K,224427-79-6,(+)-Nafuredin,CHEMBL4162866,FT-0554,(1R,2R,5R,6S)-5-Hydroxy-1-methyl-2-((1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraen-1-yl)-3,7-dioxabicyclo(4.1.0)heptan-4-one,3,7-Dioxabicyclo(4.1.0)heptan-4-one, 5-hydroxy-1-methyl-2-((1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraen-1-yl)-, (1R,2R,5R,6S)-,3,7-Dioxabicyclo(4.1.0)heptan-4-one, 5-hydroxy-1-methyl-2-((1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraenyl)-, (1R,2R,5R,6S)-

Identifiers / External links

Structure

  • Smiles: CCC(C)C=CC=C(C)CC(C)C=CC=CC1C2(C(O2)C(C(=O)O1)O)C

  • Isomeric smiles: CC[C@H](C)/C=C/C=C(\C)/C[C@@H](C)/C=C/C=C/[C@@H]1[C@@]2([C@@H](O2)[C@H](C(=O)O1)O)C

  • Inchi: InChI=1S/C22H32O4/c1-6-15(2)11-9-12-17(4)14-16(3)10-7-8-13-18-22(5)20(26-22)19(23)21(24)25-18/h7-13,15-16,18-20,23H,6,14H2,1-5H3/b10-7+,11-9+,13-8+,17-12+/t15-,16-,18+,19+,20-,22+/m0/s1

  • Inchikey: NMEGHQQRWKBPQO-IMNRXHEYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Monoisotopic mass: 360.2300595

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