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Kolokoside a

  • Formula: C36H58O10

  • Molecular weight: 650.80

  • Smiles: CC(C)C(C)C1(C(C2(CC=C3C(C2(CC1=O)C)CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C(=O)O)C

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Kolokoside a

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

Names

  • Mycotoxin name: Kolokoside a

  • First synonym: Kolokoside a

  • Synonyms: Kolokoside A,932034-64-5

Identifiers / External links

Structure

  • Smiles: CC(C)C(C)C1(C(C2(CC=C3C(C2(CC1=O)C)CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C(=O)O)C

  • Isomeric smiles: C[C@H](C(C)C)[C@@]1([C@H]([C@@]2(CC=C3[C@@H]([C@]2(CC1=O)C)CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)C(=O)O)C

  • Inchi: InChI=1S/C36H58O10/c1-17(2)18(3)36(9)24(39)15-35(8)20-10-11-23-32(4,5)29(46-31-27(42)26(41)25(40)22(16-37)45-31)21(38)14-33(23,6)19(20)12-13-34(35,7)28(36)30(43)44/h12,17-18,20-23,25-29,31,37-38,40-42H,10-11,13-16H2,1-9H3,(H,43,44)/t18-,20+,21-,22-,23+,25-,26+,27-,28+,29+,31+,33-,34+,35-,36+/m1/s1

  • Inchikey: KTRZOFQWEWCGPB-ODCXEYBOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H58O10

  • Molecular weight: 650.80

  • Monoisotopic mass: 650.40299804

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