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Stachybotrin c

  • Formula: C31H39NO5

  • Molecular weight: 505.60

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCC4=CC=C(C=C4)O)O)O)C)C)C

  • Type: Pyranoisoindole

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Stachybotrin c

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

Names

  • Mycotoxin name: Stachybotrin c

  • First synonym: Stachybotrin c

  • Synonyms: Stachybotrin C,3,4,8,9-Tetrahydro-3alpha,5-dihydroxy-8-(4-hydroxyphenethyl)-2alpha-[(E)-4,8-dimethyl-3,7-nonadienyl]-2-methylpyrano[2,3-e]isoindol-7(2H)-one

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Structure

  • Smiles: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCC4=CC=C(C=C4)O)O)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CC[C@@]1([C@@H](CC2=C(C=C3C(=C2O1)CN(C3=O)CCC4=CC=C(C=C4)O)O)O)C)/C)C

  • Inchi: InChI=1S/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m1/s1

  • Inchikey: VXPNPWUFHMIFJE-LCVDRPHOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H39NO5

  • Molecular weight: 505.60

  • Monoisotopic mass: 505.28282334

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