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Rubroskyrin

  • Formula: C30H22O12

  • Molecular weight: 574.50

  • Smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=O)C4C(C3C5C46C(=C(C7=C(C=C(C(=C7C6=O)O)C)O)O)C(=O)CC5O)O)O

  • Type: Anthraquinoid dimer

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Rubroskyrin

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

  • Mycotoxin name: Rubroskyrin

  • First synonym: Rubroskyrin

  • Synonyms: Rubroskyrin,CHEMBL1976505,CHEBI:168192,21884-47-9,NSC-249991,5,8,10,14,18,25,28-heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,10,17(26),18,21,24-octaene-3,12,20,23,27-pentone,9,17-Methanonaphtho[2',3':5,6]cyclohept[1,2-d]anthracene-5,11,14,16,18(17H)-pentone, 7,8,8a,9-tetrahydro-1,4,6,8,10,15,19-heptahydroxy-2,12-dimethyl-, [8S-(8.alpha.,8a.alpha.,9.alpha.,17.alpha.,17aS*,19S*)]-

Identifiers / External links

Structure

  • Smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=O)C4C(C3C5C46C(=C(C7=C(C=C(C(=C7C6=O)O)C)O)O)C(=O)CC5O)O)O

  • Isomeric smiles: CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=O)[C@@H]4[C@@H]([C@H]3[C@H]5[C@]46C(=C(C7=C(C=C(C(=C7C6=O)O)C)O)O)C(=O)C[C@@H]5O)O)O

  • Inchi: InChI=1S/C30H22O12/c1-6-3-8(31)12-16(22(6)35)25(38)14-15-19-10(33)5-11(34)20-26(39)13-9(32)4-7(2)23(36)18(13)29(42)30(19,20)21(27(15)40)28(41)17(14)24(12)37/h3-4,10,15,19,21,27,31-33,35-36,39-40H,5H2,1-2H3/t10-,15+,19-,21-,27+,30-/m0/s1

  • Inchikey: NYZUFCNQVDNNGN-TWBHCDLESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H22O12

  • Molecular weight: 574.50

  • Monoisotopic mass: 574.11112613

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