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Chaetoglobin b

  • Formula: C38H48N2O12

  • Molecular weight: 724.80

  • Smiles: CC(CCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)OC(=O)C)C3=C4C=C(N(C=C4C(=O)C(C3=O)(C)OC(=O)C)CCO)CCCC(C)O)O

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Chaetoglobin b

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

Names

  • Mycotoxin name: Chaetoglobin b

  • First synonym: Chaetoglobin b

  • Synonyms: Chaetoglobin B

Identifiers / External links

Structure

  • Smiles: CC(CCCC1=CC2=C(C(=O)C(C(=O)C2=CN1CCO)(C)OC(=O)C)C3=C4C=C(N(C=C4C(=O)C(C3=O)(C)OC(=O)C)CCO)CCCC(C)O)O

  • Isomeric smiles: C[C@@H](CCCC1=CC2=C(C(=O)[C@](C(=O)C2=CN1CCO)(C)OC(=O)C)C3=C4C=C(N(C=C4C(=O)[C@@](C3=O)(C)OC(=O)C)CCO)CCC[C@H](C)O)O

  • Inchi: InChI=1S/C38H48N2O12/c1-21(43)9-7-11-25-17-27-29(19-39(25)13-15-41)33(47)37(5,51-23(3)45)35(49)31(27)32-28-18-26(12-8-10-22(2)44)40(14-16-42)20-30(28)34(48)38(6,36(32)50)52-24(4)46/h17-22,41-44H,7-16H2,1-6H3/t21-,22-,37+,38+/m0/s1

  • Inchikey: HPLABOYPZBUPPP-QJJXLEMDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C38H48N2O12

  • Molecular weight: 724.80

  • Monoisotopic mass: 724.32072497

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