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16-hydroxyroridin e

  • Formula: C29H38O9

  • Molecular weight: 530.60

  • Smiles: CC1=CC(=O)OCC23CCC(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1)C(C)O)CO

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16-hydroxyroridin e

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

  • Mycotoxin name: 16-hydroxyroridin e

  • First synonym: 16-hydroxyroridin e

  • Synonyms: 16-hydroxyroridin E,CHEMBL447144

Identifiers / External links

Structure

  • Smiles: CC1=CC(=O)OCC23CCC(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1)C(C)O)CO

  • Isomeric smiles: C/C/1=C\C(=O)OC[C@]23CCC(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@]45CO5)C)OC(=O)/C=C\C=C\[C@@H](OCC1)[C@@H](C)O)CO

  • Inchi: InChI=1S/C29H38O9/c1-18-9-11-34-21(19(2)31)6-4-5-7-25(32)38-22-14-24-29(17-36-29)27(22,3)28(16-35-26(33)12-18)10-8-20(15-30)13-23(28)37-24/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5-,18-12+/t19-,21-,22-,23-,24-,27-,28-,29+/m1/s1

  • Inchikey: DUKCZSLAWRKJBB-UYHWUTLMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H38O9

  • Molecular weight: 530.60

  • Monoisotopic mass: 530.25158279

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