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Betaenone f

  • Formula: C23H38O6

  • Molecular weight: 410.50

  • Smiles: CCC(C)C1C(C2C(CC(CC2C(=O)C1(C)O)(C)O)C)(C)C(=O)CCOC(=O)C

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Betaenone f

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

  • Mycotoxin name: Betaenone f

  • First synonym: Betaenone f

  • Synonyms: Betaenone F,UNII-3PA5373MPV,3PA5373MPV,85269-24-5,1(2H)-Naphthalenone, 4-(3-(acetyloxy)-1-oxopropyl)octahydro-2,7-dihydroxy-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-,1(2H)-Naphthalenone, 4-(3-(acetyloxy)-1-oxopropyl)octahydro-2,7-dihydroxy-2,4,5,7-tetramethyl-3-(1-methylpropyl)-, (2S-(2alpha,3beta(S*),4beta,4abeta,5beta,7alpha,8aalpha))-

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Structure

  • Smiles: CCC(C)C1C(C2C(CC(CC2C(=O)C1(C)O)(C)O)C)(C)C(=O)CCOC(=O)C

  • Isomeric smiles: CC[C@@H](C)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)CCOC(=O)C

  • Inchi: InChI=1S/C23H38O6/c1-8-13(2)19-22(6,17(25)9-10-29-15(4)24)18-14(3)11-21(5,27)12-16(18)20(26)23(19,7)28/h13-14,16,18-19,27-28H,8-12H2,1-7H3/t13-,14-,16+,18+,19-,21-,22-,23+/m1/s1

  • Inchikey: FLFBDTRJVACJLZ-JPNFTQASSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H38O6

  • Molecular weight: 410.50

  • Monoisotopic mass: 410.26683893

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