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Ergophilone b

  • Formula: C49H58O10

  • Molecular weight: 807.00

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C4C5C=C6CC(CCC6(C7C5=C8C(C4C(=O)O)CC(C8(CC7)C)C(C)C=CC(C)C(C)C)C)O)C)O)O

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Ergophilone b

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

Names

  • Mycotoxin name: Ergophilone b

  • First synonym: Ergophilone b

  • Synonyms: Ergophilone B

Identifiers / External links

Structure

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C4C5C=C6CC(CCC6(C7C5=C8C(C4C(=O)O)CC(C8(CC7)C)C(C)C=CC(C)C(C)C)C)O)C)O)O

  • Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)[C@@H]4[C@@H]5C=C6C[C@H](CC[C@@]6([C@@H]7C5=C8[C@@H]([C@H]4C(=O)O)C[C@@H]([C@]8(CC7)C)[C@H](C)/C=C/[C@H](C)C(C)C)C)O)C)O)O

  • Inchi: InChI=1S/C49H58O10/c1-23(2)24(3)9-10-25(4)35-21-32-42(45(55)56)41(31-19-28-18-29(50)11-13-47(28,6)34-12-14-48(35,7)43(32)40(31)34)37-16-27-17-38(53)49(8,44(54)33(27)22-58-37)59-46(57)39-26(5)15-30(51)20-36(39)52/h9-10,15-17,19-20,22-25,29,31-32,34-35,41-42,50-52H,11-14,18,21H2,1-8H3,(H,55,56)/b10-9+/t24-,25+,29-,31+,32+,34-,35+,41-,42+,47-,48+,49+/m0/s1

  • Inchikey: ODAAVVLSJCNFIV-RDQDZTDASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C49H58O10

  • Molecular weight: 807.00

  • Monoisotopic mass: 806.40299804

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