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Phomoxanthone b

  • Formula: C38H38O16

  • Molecular weight: 750.70

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)COC(=O)C)OC(=O)C)C)O)OC2(C1OC(=O)C)COC(=O)C)O

  • Type: Xanthone dimer

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Phomoxanthone b

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

  • Mycotoxin name: Phomoxanthone b

  • First synonym: Phomoxanthone b

  • Synonyms: Phomoxanthone B,CHEBI:66750,CHEMBL511092,Q27135374,(5R*,5'R*,6R*,6'R*,10aR*,10a'R*)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,4'-bixanthene-5,5'-diyl diacetate,rel-[(5R,5'R,6R,6'R,10aR,10a'R)-5,5'-Diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)COC(=O)C)OC(=O)C)C)O)OC2(C1OC(=O)C)COC(=O)C)O

  • Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)COC(=O)C)OC(=O)C)C)O)O[C@@]2([C@@H]1OC(=O)C)COC(=O)C)O

  • Inchi: InChI=1S/C38H38O16/c1-15-11-25(45)30-33(48)28-26(53-37(30,13-49-17(3)39)35(15)51-19(5)41)10-8-21(31(28)46)22-7-9-23(43)27-32(47)29-24(44)12-16(2)36(52-20(6)42)38(29,54-34(22)27)14-50-18(4)40/h7-10,15-16,35-36,43,46-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1

  • Inchikey: RWPGIQJRECCQEK-ACMZUNAXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C38H38O16

  • Molecular weight: 750.70

  • Monoisotopic mass: 750.21598512

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