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Variecolin

  • Formula: C25H36O2

  • Molecular weight: 368.60

  • Smiles: CC1CC(=O)C2C1CC3(CCC4(CCC(C4C3CC=C2C=O)C(=C)C)C)C

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Variecolin

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

Names

  • Mycotoxin name: Variecolin

  • First synonym: Variecolin

  • Synonyms: Variecolin,CHEMBL519317,CHEBI:66349,133101-16-3,BDBM50260106,isopropenyl-trimethyl-oxo-[?]carbaldehyde,Q15427952,(1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde,Cyclopenta[4,5]cyclooct[1,2-e]indene-8-carboxaldehyde, 1,2,2a,3,4,5,5a,5b,6,8a,9,10,11,11a,12,12a-hexadecahydro-2a,11,12a-trimethyl-5-(1-methylethenyl)-9-oxo-, (2aS,5S,5aS,5bS,8aR,11S,11aS,12aR)-

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2C1CC3(CCC4(CCC(C4C3CC=C2C=O)C(=C)C)C)C

  • Isomeric smiles: C[C@H]1CC(=O)[C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C=O)C(=C)C)C)C

  • Inchi: InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1

  • Inchikey: XAYQASOMEVLRKN-NOJNFTMQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H36O2

  • Molecular weight: 368.60

  • Monoisotopic mass: 368.271530387

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