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Paecilospirone

  • Formula: C32H44O5

  • Molecular weight: 508.70

  • Smiles: CCCCCCCCC(=O)C1=C2C(C(C3(C4=C(CO3)C(=CC=C4)O)OC2=CC=C1)CCCCCCC)O

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Paecilospirone

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

  • Mycotoxin name: Paecilospirone

  • First synonym: Paecilospirone

  • Synonyms: Paecilospirone

Identifiers / External links

Structure

  • Smiles: CCCCCCCCC(=O)C1=C2C(C(C3(C4=C(CO3)C(=CC=C4)O)OC2=CC=C1)CCCCCCC)O

  • Isomeric smiles: CCCCCCCCC(=O)C1=C2[C@H]([C@H]([C@]3(C4=C(CO3)C(=CC=C4)O)OC2=CC=C1)CCCCCCC)O

  • Inchi: InChI=1S/C32H44O5/c1-3-5-7-9-11-13-19-27(33)23-16-14-21-29-30(23)31(35)26(17-12-10-8-6-4-2)32(37-29)25-18-15-20-28(34)24(25)22-36-32/h14-16,18,20-21,26,31,34-35H,3-13,17,19,22H2,1-2H3/t26-,31+,32+/m1/s1

  • Inchikey: CCRSXYWJZQINJL-GWTOPCPNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H44O5

  • Molecular weight: 508.70

  • Monoisotopic mass: 508.3188745

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