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Saricandin

  • Formula: C44H54O16

  • Molecular weight: 838.90

  • Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(CO2)C=C(C=C3O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=CC=C5)O)O)O)O

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Saricandin

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

Names

  • Mycotoxin name: Saricandin

  • First synonym: Saricandin

  • Synonyms: Saricandin

Identifiers / External links

Structure

  • Smiles: CCCCCC=CC=CC(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(CO2)C=C(C=C3O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=CC=C5)O)O)O)O

  • Isomeric smiles: CCCCC/C=C/C=C/[C@@H](C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(CO2)C=C(C=C3O)O)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)COC(=O)/C=C/C5=CC=CC=C5)O)O)O)O

  • Inchi: InChI=1S/C44H54O16/c1-2-3-4-5-6-7-12-17-29(46)18-13-9-14-19-35(50)58-41-40(32(24-45)60-44(42(41)54)36-28(25-56-44)22-30(47)23-31(36)48)59-43-39(53)38(52)37(51)33(57-43)26-55-34(49)21-20-27-15-10-8-11-16-27/h6-17,19-23,29,32-33,37-43,45-48,51-54H,2-5,18,24-26H2,1H3/b7-6+,13-9+,17-12+,19-14+,21-20+/t29-,32+,33-,37+,38-,39+,40+,41-,42+,43-,44-/m0/s1

  • Inchikey: HBUHGNHKDUGKCO-SFMVNPMRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C44H54O16

  • Molecular weight: 838.90

  • Monoisotopic mass: 838.34118563

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