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PR imine

  • Formula: C17H21NO5

  • Molecular weight: 319.40

  • Smiles: CC1C(C2C(O2)C3=CC4=NC(C5(C4(O5)CC13C)C)O)OC(=O)C

  • Type: Sequiterpene

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PR imine

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

  • Mycotoxin name: PR imine

  • First synonym: None

  • Synonyms: PR-Imine,PR Toxin imine,56349-25-8,(6-hydroxy-1,5,15-trimethyl-4,12-dioxa-7-azapentacyclo[8.5.0.03,5.03,8.011,13]pentadeca-7,9-dien-14-yl) acetate,Oxireno(c)oxireno(3,4)benz(1,2-f)indole-2,6-diol, 1a,2,4b,5a,6,7,7a,8-octahydro-1a,7,7a-trimethyl-, 6-acetate,Penicillium roqueforti imine,DTXSID60971782,2-hydroxy-1a,7,7a-trimethyl-1a,2,4b,5a,6,7,7a,8-octahydro[1]benzoxireno[3,2-f]oxireno[c]indol-6-yl acetate

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Structure

  • Smiles: CC1C(C2C(O2)C3=CC4=NC(C5(C4(O5)CC13C)C)O)OC(=O)C

  • Isomeric smiles: CC1C(C2C(O2)C3=CC4=NC(C5(C4(O5)CC13C)C)O)OC(=O)C

  • Inchi: InChI=1S/C17H21NO5/c1-7-11(21-8(2)19)13-12(22-13)9-5-10-17(6-15(7,9)3)16(4,23-17)14(20)18-10/h5,7,11-14,20H,6H2,1-4H3

  • Inchikey: SBGVOJKUHUEKNQ-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H21NO5

  • Molecular weight: 319.40

  • Monoisotopic mass: 319.14197277

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