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Roritoxin c

  • Formula: C29H32O12

  • Molecular weight: 572.60

  • Smiles: CC12CCC34COC(=O)C5C6(O5)CCOC7(C6OC(=O)C7O)C=CC=CC(=O)OC8C3(C9(CO9)C(C8)OC4C1O2)C

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Roritoxin c

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

Names

  • Mycotoxin name: Roritoxin c

  • First synonym: Roritoxin c

  • Synonyms: Roritoxin C,102852-50-6

Identifiers / External links

Structure

  • Smiles: CC12CCC34COC(=O)C5C6(O5)CCOC7(C6OC(=O)C7O)C=CC=CC(=O)OC8C3(C9(CO9)C(C8)OC4C1O2)C

  • Isomeric smiles: C[C@@]12CC[C@]34COC(=O)C5[C@@]6(O5)CCO[C@]7([C@@H]6OC(=O)C7O)/C=C/C=C\C(=O)O[C@H]8[C@]3(C9(CO9)[C@@H](C8)O[C@@H]4[C@@H]1O2)C

  • Inchi: InChI=1S/C29H32O12/c1-24-7-8-26-12-34-22(33)20-28(41-20)9-10-35-27(17(31)21(32)39-23(27)28)6-4-3-5-16(30)37-14-11-15(38-19(26)18(24)40-24)29(13-36-29)25(14,26)2/h3-6,14-15,17-20,23,31H,7-13H2,1-2H3/b5-3-,6-4+/t14-,15-,17?,18+,19-,20?,23+,24-,25-,26-,27-,28+,29?/m1/s1

  • Inchikey: LANVEQVSXWXQLN-PPLMHUQRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H32O12

  • Molecular weight: 572.60

  • Monoisotopic mass: 572.18937645

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