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7beta,8beta-Epoxyroridin H

  • Formula: C29H34O9

  • Molecular weight: 526.60

  • Smiles: CC1C2C=CC=CC(=O)OC3CC4C5(C3(C6(COC(=O)C=C(CC(O1)O2)C)C(O4)C=C(C7C6O7)C)C)CO5

  • Type: Trichothecene

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7beta,8beta-Epoxyroridin H

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

  • Mycotoxin name: 7beta,8beta-Epoxyroridin H

  • First synonym: None

  • Synonyms: 7beta,8beta-Epoxyroridin H,(3R,8S,9S,13Z,20Z,22Z,26R,28S)-5,14,18,27-tetramethylspiro[2,7,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.06,8.09,27]triaconta-4,13,20,22-tetraene-28,2'-oxirane]-12,24-dione,(3R,8S,9S,13Z,20Z,22Z,26R,28S)-5,14,18,27-tetramethylspiro(2,7,11,17,25,30-hexaoxahexacyclo(24.2.1.116,19.03,9.06,8.09,27)triaconta-4,13,20,22-tetraene-28,2'-oxirane)-12,24-dione,CHEBI:225161,64687-85-0

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Structure

  • Smiles: CC1C2C=CC=CC(=O)OC3CC4C5(C3(C6(COC(=O)C=C(CC(O1)O2)C)C(O4)C=C(C7C6O7)C)C)CO5

  • Isomeric smiles: CC1C2/C=C\C=C/C(=O)O[C@@H]3CC4[C@]5(C3([C@]6(COC(=O)/C=C(\CC(O1)O2)/C)[C@H](O4)C=C(C7[C@H]6O7)C)C)CO5

  • Inchi: InChI=1S/C29H34O9/c1-15-9-23(31)32-13-28-20(11-16(2)25-26(28)38-25)36-21-12-19(27(28,4)29(21)14-33-29)37-22(30)8-6-5-7-18-17(3)34-24(10-15)35-18/h5-9,11,17-21,24-26H,10,12-14H2,1-4H3/b7-5-,8-6-,15-9-/t17?,18?,19-,20-,21?,24?,25?,26-,27?,28-,29+/m1/s1

  • Inchikey: VXOJFQZXGUOVSR-NIACSNKHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H34O9

  • Molecular weight: 526.60

  • Monoisotopic mass: 526.22028266

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