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Alterporriol b

  • Formula: C32H26O13

  • Molecular weight: 618.50

  • Smiles: CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(C(C(C6O)(C)O)O)O)O)OC

  • Type: Anthraquinoid dimer

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Alterporriol b

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

  • Mycotoxin name: Alterporriol b

  • First synonym: Alterporriol b

  • Synonyms: Alterporriol B,88901-69-3,4,6-dihydroxy-2-methoxy-7-methyl-1-[(5S,6R,7R,8R)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]anthracene-9,10-dione,Ap-B 3,DTXSID30237403,(1,1'-Bianthracene)-9,9',10,10'-tetrone, 5,6,7,8-tetrahydro-4,4',5,6,6',7,8-heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (5S-(5alpha,6beta,7beta,8alpha))-

Identifiers / External links

  • CAS: 88901-69-3

  • PubChem CID: 145948

  • DSS TOX CID: DTXCID90159894

  • ChemSpiderID: 128748

  • CompTox Chemicals Dashboard (DTXSID): DTXSID30237403

Structure

  • Smiles: CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(C(C(C6O)(C)O)O)O)O)OC

  • Isomeric smiles: CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)[C@@H]([C@H]([C@]([C@@H]6O)(C)O)O)O)O)OC

  • Inchi: InChI=1S/C32H26O13/c1-9-5-10-11(6-12(9)33)25(36)17-13(34)7-15(44-3)19(21(17)26(10)37)20-16(45-4)8-14(35)18-22(20)28(39)24-23(27(18)38)29(40)31(42)32(2,43)30(24)41/h5-8,29-31,33-35,40-43H,1-4H3/t29-,30+,31+,32+/m0/s1

  • Inchikey: YHXUFRJJYFYRSH-SYEZAVJTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H26O13

  • Molecular weight: 618.50

  • Monoisotopic mass: 618.13734088

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