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Roridin d

  • Formula: C29H38O9

  • Molecular weight: 530.60

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)C

  • Type: Trichothecene

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Roridin d

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

Names

  • Mycotoxin name: Roridin d

  • First synonym: Roridin d

  • Synonyms: Roridin D,Roridin-D,RORIDIN,14682-29-2,7'-Deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)verrucarin A,NSC374338,Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-7'-(1-hydroxyethyl)-,NSC-374338

Identifiers / External links

  • CAS: 14682-29-2

  • PubChem CID: 5477986

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)C

  • Isomeric smiles: CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)C

  • Inchi: InChI=1S/C29H38O9/c1-17-9-10-28-15-34-25(32)24-26(3,38-24)11-12-33-19(18(2)30)7-5-6-8-23(31)37-20-14-22(36-21(28)13-17)29(16-35-29)27(20,28)4/h5-8,13,18-22,24,30H,9-12,14-16H2,1-4H3/b7-5+,8-6+

  • Inchikey: XZWOQFZHIMDODQ-KQQUZDAGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H38O9

  • Molecular weight: 530.60

  • Monoisotopic mass: 530.25158279

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