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Phellodonic Acid

  • Formula: C23H32O6

  • Molecular weight: 404.50

  • Smiles: CCCCCCCC(=O)OC1C2C(CC1(C)C(=O)O)CC34C2(C(=C)C(=O)C3O4)C

  • Type: Hirsutane

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Phellodonic Acid

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

Names

  • Mycotoxin name: Phellodonic Acid

  • First synonym: None

  • Synonyms: Phellodonic acid,152613-17-7,5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid,DTXSID00934558,3a,5-Dimethyl-3-methylidene-4-(octanoyloxy)-2-oxodecahydrocyclopenta[4,5]pentaleno[1,6a-b]oxirene-5-carboxylic acid,Cyclopenta(4,5)pentaleno(1,6a-b)oxirene-5-carboxylic acid, decahydro-3a,5-dimethyl-3-methylene-2-oxo-4-((1-oxooctyl)oxy)-, (1aS-(1aalpha,3abeta,3balpha,4alpha,5beta,6aalpha,7aR*))-

Identifiers / External links

Structure

  • Smiles: CCCCCCCC(=O)OC1C2C(CC1(C)C(=O)O)CC34C2(C(=C)C(=O)C3O4)C

  • Isomeric smiles: CCCCCCCC(=O)OC1C2C(CC1(C)C(=O)O)CC34C2(C(=C)C(=O)C3O4)C

  • Inchi: InChI=1S/C23H32O6/c1-5-6-7-8-9-10-15(24)28-18-16-14(11-21(18,3)20(26)27)12-23-19(29-23)17(25)13(2)22(16,23)4/h14,16,18-19H,2,5-12H2,1,3-4H3,(H,26,27)

  • Inchikey: SGMJRSNRTRKWNM-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H32O6

  • Molecular weight: 404.50

  • Monoisotopic mass: 404.21988874

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