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Niveulone

  • Formula: C27H38O5

  • Molecular weight: 442.60

  • Smiles: CC1=CC(C2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=C(OC5=O)C)C)C)(C)C)O)C)O

  • Type: Furopyranphenanthrene

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Niveulone

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

Names

  • Mycotoxin name: Niveulone

  • First synonym: None

  • Synonyms: Niveulone,(2S,4aS,4bR,5S,8S,8aR,10aR)-2,5-dihydroxy-1,1,4a,6',7,7',8a-heptamethylspiro[2,3,4,4b,5,9,10,10a-octahydrophenanthrene-8,2'-3H-furo[3,2-c]pyran]-4'-one,(2S,4aS,4bR,5S,8S,8aR,10aR)-2,5-dihydroxy-1,1,4a,6',7,7',8a-heptamethylspiro(2,3,4,4b,5,9,10,10a-octahydrophenanthrene-8,2'-3H-furo(3,2-c)pyran)-4'-one,CHEBI:209980,(2S,4aS,4bR,5S,8S,8aR,10aR)-2,5-dihydroxy-1,1,4a,6',7,7',8a-heptamethylspiro[2,3,4,4b,5,9,10,10a-octahydrophenanthrene-8,2'-3H-uro[3,2-c]pyran]-4'-one

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Structure

  • Smiles: CC1=CC(C2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=C(OC5=O)C)C)C)(C)C)O)C)O

  • Isomeric smiles: CC1=C[C@@H]([C@@H]2[C@]3(CC[C@@H](C([C@@H]3CC[C@]2([C@]14CC5=C(O4)C(=C(OC5=O)C)C)C)(C)C)O)C)O

  • Inchi: InChI=1S/C27H38O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h12,18-20,22,28-29H,8-11,13H2,1-7H3/t18-,19-,20-,22+,25-,26+,27-/m0/s1

  • Inchikey: ONXRFXAQJLPHIF-PHLXIQMUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H38O5

  • Molecular weight: 442.60

  • Monoisotopic mass: 442.27192431

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