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Roritoxin d

  • Formula: C29H32O11

  • Molecular weight: 556.60

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(=O)C6O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C

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Roritoxin d

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

Names

  • Mycotoxin name: Roritoxin d

  • First synonym: Roritoxin d

  • Synonyms: Roritoxin D,102852-51-7

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(=O)C6O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)C4[C@@]5(O4)CCO[C@]6([C@@H]5OC(=O)C6O)/C=C/C=C\C(=O)O[C@H]7[C@]3(C8(CO8)C(C7)O2)C

  • Inchi: InChI=1S/C29H32O11/c1-15-6-8-26-13-34-23(33)21-28(40-21)9-10-35-27(20(31)22(32)39-24(27)28)7-4-3-5-19(30)38-16-12-18(37-17(26)11-15)29(14-36-29)25(16,26)2/h3-5,7,11,16-18,20-21,24,31H,6,8-10,12-14H2,1-2H3/b5-3-,7-4+/t16-,17-,18?,20?,21?,24+,25-,26-,27-,28+,29?/m1/s1

  • Inchikey: CITZZDPFYHUTBE-ANWGOTTISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H32O11

  • Molecular weight: 556.60

  • Monoisotopic mass: 556.19446183

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