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Penisimplicin a

  • Formula: C30H40O10

  • Molecular weight: 560.60

  • Smiles: CC(=O)OC1C2C(C(=O)CCC2(C3CC(=C)C4(C(C3(C1OC(=O)C)C)C(=O)OC(C4=O)(C)C(=O)OC)C)C)(C)C

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Penisimplicin a

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

Names

  • Mycotoxin name: Penisimplicin a

  • First synonym: Penisimplicin a

  • Synonyms: Penisimplicin A

Identifiers / External links

Structure

  • Smiles: CC(=O)OC1C2C(C(=O)CCC2(C3CC(=C)C4(C(C3(C1OC(=O)C)C)C(=O)OC(C4=O)(C)C(=O)OC)C)C)(C)C

  • Isomeric smiles: CC(=O)O[C@@H]1[C@@H]2[C@](CCC(=O)C2(C)C)([C@H]3CC(=C)[C@]4([C@H]([C@@]3([C@H]1OC(=O)C)C)C(=O)O[C@@](C4=O)(C)C(=O)OC)C)C

  • Inchi: InChI=1S/C30H40O10/c1-14-13-17-27(6)12-11-18(33)26(4,5)20(27)19(38-15(2)31)22(39-16(3)32)29(17,8)21-23(34)40-30(9,25(36)37-10)24(35)28(14,21)7/h17,19-22H,1,11-13H2,2-10H3/t17-,19-,20+,21-,22+,27-,28+,29-,30-/m1/s1

  • Inchikey: LIFWJOZSNQRGRS-IEKIUVEISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H40O10

  • Molecular weight: 560.60

  • Monoisotopic mass: 560.26214747

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