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Oblongolide

  • Formula: C14H20O2

  • Molecular weight: 220.31

  • Smiles: CC1CCC2C(C1)C=CC3C2(C(=O)OC3)C

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Oblongolide

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

  • Mycotoxin name: Oblongolide

  • First synonym: Oblongolide

  • Synonyms: Oblongolide,Oblongolide A,97344-05-3,CHEBI:7715,CHEMBL1077021,C09519,(3aS,5aR,7S,9aS,9bR)-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzofuran-1-one,AC1L428C,DTXSID00913964,J3.493.840G,Q27107565,7,9b-dimethyl-3a,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(3H)-one,(3aS,5aR,7S,9aS,9bR)-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g]isobenzofuran-1-one,7beta,9balpha-Dimethyl-3aalpha,5aalpha,6,7,8,9,9abeta,9b-octahydronaphtho[1,2-c]furan-1(3H)-one,Naphtho(1,2-c)furan-1(3H)-one, 3a,5a,6,7,8,9,9a,9b-octahydro-7,9b-dimethyl-, (3aS,5aR,7S,9aS,9bR)-

Identifiers / External links

Structure

  • Smiles: CC1CCC2C(C1)C=CC3C2(C(=O)OC3)C

  • Isomeric smiles: C[C@H]1CC[C@H]2[C@H](C1)C=C[C@H]3[C@@]2(C(=O)OC3)C

  • Inchi: InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m0/s1

  • Inchikey: ZSRQNNNSHRCNQE-HNRZYHPDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H20O2

  • Molecular weight: 220.31

  • Monoisotopic mass: 220.146329876

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