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Roridin K acetate

  • Formula: C31H40O10

  • Molecular weight: 572.60

  • Smiles: CC1=CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1)C(C)O)C)OC(=O)C

  • Type: Trichothecene

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Roridin K acetate

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

  • Mycotoxin name: Roridin K acetate

  • First synonym: None

  • Synonyms: Roridin K acetate,[(1R,3R,6S,8R,12E,18E,20Z,24R,25S)-17-(1-hydroxyethyl)-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-6-yl] acetate,((1R,3R,6S,8R,12E,18E,20Z,24R,25S)-17-(1-hydroxyethyl)-5,13,25-trimethyl-11,22-dioxospiro(2,10,16,23-tetraoxatetracyclo(22.2.1.03,8.08,25)heptacosa-4,12,18,20-tetraene-26,2'-oxirane)-6-yl) acetate,CHEBI:224872

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Structure

  • Smiles: CC1=CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1)C(C)O)C)OC(=O)C

  • Isomeric smiles: C/C/1=C\C(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3(C45CO5)C)OC(=O)/C=C\C=C\C(OCC1)C(C)O)C)OC(=O)C

  • Inchi: InChI=1S/C31H40O10/c1-18-10-11-36-22(20(3)32)8-6-7-9-27(34)41-24-14-26-31(17-38-31)29(24,5)30(16-37-28(35)12-18)15-23(39-21(4)33)19(2)13-25(30)40-26/h6-9,12-13,20,22-26,32H,10-11,14-17H2,1-5H3/b8-6+,9-7-,18-12+/t20?,22?,23-,24+,25+,26+,29+,30+,31?/m0/s1

  • Inchikey: BMAGQNXTRVVGHR-JXDVDHGDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H40O10

  • Molecular weight: 572.60

  • Monoisotopic mass: 572.26214747

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