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Kolokoside b

  • Formula: C36H58O9

  • Molecular weight: 634.80

  • Smiles: CC(C)C1CC(=O)C2C1(C(CC3(C2(CC=C4C3CCC5C4(CC(C(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C)O)C

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Kolokoside b

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

Names

  • Mycotoxin name: Kolokoside b

  • First synonym: Kolokoside b

  • Synonyms: Kolokoside B,932034-65-6

Identifiers / External links

Structure

  • Smiles: CC(C)C1CC(=O)C2C1(C(CC3(C2(CC=C4C3CCC5C4(CC(C(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)C)O)C

  • Isomeric smiles: CC(C)[C@H]1CC(=O)[C@@H]2[C@@]1([C@@H](C[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)C)O)C

  • Inchi: InChI=1S/C36H58O9/c1-17(2)20-13-21(38)29-34(6)12-11-18-19(35(34,7)15-25(40)36(20,29)8)9-10-24-32(3,4)30(22(39)14-33(18,24)5)45-31-28(43)27(42)26(41)23(16-37)44-31/h11,17,19-20,22-31,37,39-43H,9-10,12-16H2,1-8H3/t19-,20+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,33+,34-,35+,36-/m0/s1

  • Inchikey: PWZRVQJZHPSMOZ-XARKKIKSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H58O9

  • Molecular weight: 634.80

  • Monoisotopic mass: 634.40808342

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