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Rhodoislandin B

  • Formula: C30H18O10

  • Molecular weight: 538.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Type: Anthraquinoid dimer

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Rhodoislandin B

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

Names

  • Mycotoxin name: Rhodoislandin B

  • First synonym: None

  • Synonyms: Rhodoislandin B,18693-29-3,DTXSID10171952,1,4,5-trihydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione,DTXCID0094443,CHEBI:226473

Identifiers / External links

  • CAS: 18693-29-3

  • PubChem CID: 5491374

  • DSS TOX CID: DTXCID0094443

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:226473

  • CompTox Chemicals Dashboard (DTXSID): DTXSID10171952

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O)O

  • Inchi: InChI=1S/C30H18O10/c1-9-5-12-19(14(32)6-9)28(38)22-17(35)8-16(34)18(24(22)27(12)37)11-3-4-13(31)21-20(11)29(39)25-23(30(21)40)15(33)7-10(2)26(25)36/h3-8,31-36H,1-2H3

  • Inchikey: XBCBLXVVEFGXEX-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H18O10

  • Molecular weight: 538.50

  • Monoisotopic mass: 538.08999677

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