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Chaetochromin c

  • Formula: C29H24O10

  • Molecular weight: 532.50

  • Smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)O

  • Type: Naphtho-pyrone dimer

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Chaetochromin c

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

  • Mycotoxin name: Chaetochromin c

  • First synonym: None

  • Synonyms: Chaetochromin C,IXY515E9BM,UNII-IXY515E9BM,108906-68-9,(9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3-trimethyl-, stereoisomer,(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-5,5',6,6',8,8'-HEXAHYDROXY-2,2',3-TRIMETHYL-, STEREOISOMER,(2R,3R)-5,5',6,6',8,8'-hexahydroxy-2,2',3-trimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo(g)chromene-4,4'-dione

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)O

  • Isomeric smiles: C[C@@H]1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)O[C@@H]([C@H](C6=O)C)C)O)O)O)O)O

  • Inchi: InChI=1S/C29H24O10/c1-9-4-14(30)25-19(38-9)5-12-21(15(31)7-17(33)23(12)28(25)36)22-13-6-20-26(27(35)10(2)11(3)39-20)29(37)24(13)18(34)8-16(22)32/h5-11,31-34,36-37H,4H2,1-3H3/t9-,10-,11-/m1/s1

  • Inchikey: ZHECJFNKDQXHIW-GMTAPVOTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H24O10

  • Molecular weight: 532.50

  • Monoisotopic mass: 532.13694696

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