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Roridin e acetate

  • Formula: C31H40O9

  • Molecular weight: 556.60

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)OC(=O)C)C

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Roridin e acetate

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

  • Mycotoxin name: Roridin e acetate

  • First synonym: Roridin e acetate

  • Synonyms: roridin E acetate,CHEMBL452441

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)OC(=O)C)C

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@@H](C)OC(=O)C)\C

  • Inchi: InChI=1S/C31H40O9/c1-19-10-12-30-17-36-28(34)15-20(2)11-13-35-23(21(3)38-22(4)32)8-6-7-9-27(33)40-24-16-26(39-25(30)14-19)31(18-37-31)29(24,30)5/h6-9,14-15,21,23-26H,10-13,16-18H2,1-5H3/b8-6+,9-7-,20-15+/t21-,23-,24-,25-,26-,29-,30-,31+/m1/s1

  • Inchikey: UMMRHXXIVGSHOW-JOAVBITDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H40O9

  • Molecular weight: 556.60

  • Monoisotopic mass: 556.26723285

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