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roridine e

  • Formula: C29H38O8

  • Molecular weight: 514.60

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

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roridine e

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

  • Mycotoxin name: roridine e

  • First synonym: None

  • Synonyms: Roridin E,Roridine E,16891-85-3,(1R,3R,8R,12E,17R,18E,20Z,24R,25S,26S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione,98826FBF79,UNII-98826FBF79,Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-((1R)-1-hydroxyethyl)-, (2'E,7'R)-,Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-, (2'E,7'R(R))-,Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-7'-[(1R)-1-hydroxyethyl]-, (2'E,7'R)-,(1R,3R,8R,12E,17R,18E,20Z,24R,25S,26S)-17-((1R)-1-hydroxyethyl)-5,13,25-trimethylspiro(2,10,16,23-tetraoxatetracyclo(22.2.1.03,8.08,25)heptacosa-4,12,18,20-tetraene-26,2'-oxirane)-11,22-dione,17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro(oxirane-2,26'-tetracyclo(22.2.1.03,8.08,25)heptacosane)-4',12',18',20'-tetraene-11',22'-dione,17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.03,8.08,25]heptacosane]-4',12',18',20'-tetraene-11',22'-dione,SCHEMBL258643,CHEMBL509175,CHEBI:214188,DTXSID501034221,MFCD01675256,NSC790853,NSC-790853,Q27272100

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)O)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)O)\C

  • Inchi: InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1

  • Inchikey: KEEQQEKLEZRLDS-FLGSVKSYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H38O8

  • Molecular weight: 514.60

  • Monoisotopic mass: 514.25666817

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