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Deformylcalbistrin a

  • Formula: C30H40O7

  • Molecular weight: 512.60

  • Smiles: CC1CC(C2C(=C1)C=CC(C2(C)C(=O)C)(C)O)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O

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Deformylcalbistrin a

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

Names

  • Mycotoxin name: Deformylcalbistrin a

  • First synonym: Deformylcalbistrin a

  • Synonyms: Deformylcalbistrin A

Identifiers / External links

Structure

  • Smiles: CC1CC(C2C(=C1)C=CC(C2(C)C(=O)C)(C)O)OC(=O)C(C)C(C(=CC=CC(=CC=CC(=O)O)C)C)O

  • Isomeric smiles: C[C@H]1C[C@@H]([C@H]2C(=C1)C=C[C@@]([C@]2(C)C(=O)C)(C)O)OC(=O)[C@@H](C)[C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O

  • Inchi: InChI=1S/C30H40O7/c1-18(11-9-13-25(32)33)10-8-12-20(3)27(34)21(4)28(35)37-24-17-19(2)16-23-14-15-29(6,36)30(7,22(5)31)26(23)24/h8-16,19,21,24,26-27,34,36H,17H2,1-7H3,(H,32,33)/b10-8+,13-9+,18-11+,20-12+/t19-,21+,24+,26-,27+,29-,30-/m1/s1

  • Inchikey: FOSKFWGVTULUAP-IZELHUGISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H40O7

  • Molecular weight: 512.60

  • Monoisotopic mass: 512.27740361

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