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Cytoskyrin B

  • Formula: C30H22O12

  • Molecular weight: 574.50

  • Smiles: COC1=CC2=C(C(=C1)O)C(=O)C3C(=O)C4C(C5C3(C2=O)C6C(C5C47C(=C(C8=C(C7=O)C=C(C=C8O)OC)O)C6=O)O)O

  • Type: Anthraquinoid dimer

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Cytoskyrin B

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

  • Mycotoxin name: Cytoskyrin B

  • First synonym: None

  • Synonyms: Cytoskyrin B,(14R,28S)-8,14,23,25,28-pentahydroxy-6,21-dimethoxyoctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22,25-heptaene-3,10,12,18,27-pentone,(14R,28S)-8,14,23,25,28-pentahydroxy-6,21-dimethoxyoctacyclo(14.11.1.02,11.02,15.04,9.013,17.017,26.019,24)octacosa-4(9),5,7,19(24),20,22,25-heptaene-3,10,12,18,27-pentone,CHEBI:222679

Identifiers / External links

Structure

  • Smiles: COC1=CC2=C(C(=C1)O)C(=O)C3C(=O)C4C(C5C3(C2=O)C6C(C5C47C(=C(C8=C(C7=O)C=C(C=C8O)OC)O)C6=O)O)O

  • Isomeric smiles: COC1=CC2=C(C(=C1)O)C(=O)C3C(=O)C4[C@@H](C5C3(C2=O)C6[C@H](C5C47C(=C(C8=C(C7=O)C=C(C=C8O)OC)O)C6=O)O)O

  • Inchi: InChI=1S/C30H22O12/c1-41-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(42-2)6-12(14)32/h3-6,15-17,19-20,23-24,31-32,34-36H,1-2H3/t15?,16?,17?,19?,20?,23-,24+,29?,30?/m1/s1

  • Inchikey: SQMILYRPJCVQSQ-YKQFLFOBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H22O12

  • Molecular weight: 574.50

  • Monoisotopic mass: 574.11112613

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