Calphostin D

  • Formula: C30H30O10

  • Molecular weight: 550.60

  • Smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O

  • Type: Perilene

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Calphostin D

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

Names

  • Mycotoxin name: Calphostin D

  • First synonym: None

  • Synonyms: Calphostin D,Phleichrome,124986-26-1,4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione,4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxyperylene-3,10-dione,NSC629720,Ucn 1028 D,SCHEMBL13121634,DTXSID00924979,CHEBI:218523,WJBHEYCJMSCKIP-UHFFFAOYSA-N,4,9-Dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-3,10-perylenedione,3,10-Perylenedione, 4,9-dihydroxy-1,12-bis(2-hydroxypropyl)-2,6,7,11-tetramethoxy-,4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-perylene-3,10-dione

Identifiers / External links

Structure

  • Smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O

  • Isomeric smiles: CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)O)O

  • Inchi: InChI=1S/C30H30O10/c1-11(31)7-13-19-20-14(8-12(2)32)30(40-6)28(36)22-16(34)10-18(38-4)24(26(20)22)23-17(37-3)9-15(33)21(25(19)23)27(35)29(13)39-5/h9-12,31-32,35-36H,7-8H2,1-6H3

  • Inchikey: WJBHEYCJMSCKIP-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H30O10

  • Molecular weight: 550.60

  • Monoisotopic mass: 550.18389715

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