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Miophytocen A

  • Formula: C29H38O8

  • Molecular weight: 514.60

  • Smiles: CC1=CC(=O)OCC23CC=C(C4C2OC5CC(C3(C5(C4)O)C)OC(=O)C=CC=CC(OCC1)C(C)O)C

  • Type: Trichothecene

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Miophytocen A

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

Names

  • Mycotoxin name: Miophytocen A

  • First synonym: None

  • Synonyms: Miophytocen A,5T85BY9B6A,UNII-5T85BY9B6A,(9R-(3E,9R*(R*),10E,12Z,16R*,16As*,17R*,18R*,19ar*,20R*,23ar*))-6,7,16,16a,17,18,19a,20-octahydro-17-hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-16,18:17,20-dimethano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-3,14(9H)-dione,16,18:17,20-Dimethano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-3,14(9H)-dione, 6,7,16,16a,17,18,19a,20-octahydro-17-hydroxy-9-((1R)-1-hydroxyethyl)-5,16a,21-trimethyl-, (4E,9R,10E,12Z,16R,16aS,17R,18R,19aR,20R,23aR)-,99764-49-5,(1R,2S,3R,6Z,8E,10R,14E,19R,23R,24R,26R)-1-hydroxy-10-((1R)-1-hydroxyethyl)-2,14,22-trimethyl-4,11,17,25-tetraoxapentacyclo(21.3.1.13,26.02,19.019,24)octacosa-6,8,14,21-tetraene-5,16-dione,(1R,2S,3R,6Z,8E,10R,14E,19R,23R,24R,26R)-1-hydroxy-10-[(1R)-1-hydroxyethyl]-2,14,22-trimethyl-4,11,17,25-tetraoxapentacyclo[21.3.1.13,26.02,19.019,24]octacosa-6,8,14,21-tetraene-5,16-dione,Q27896945

Identifiers / External links

Structure

  • Smiles: CC1=CC(=O)OCC23CC=C(C4C2OC5CC(C3(C5(C4)O)C)OC(=O)C=CC=CC(OCC1)C(C)O)C

  • Isomeric smiles: C/C/1=C\C(=O)OC[C@]23CC=C([C@@H]4[C@H]2O[C@@H]5C[C@H]([C@]3([C@@]5(C4)O)C)OC(=O)/C=C\C=C\[C@@H](OCC1)[C@@H](C)O)C

  • Inchi: InChI=1S/C29H38O8/c1-17-10-12-34-21(19(3)30)7-5-6-8-24(31)36-22-14-23-29(33)15-20-18(2)9-11-28(26(20)37-23,27(22,29)4)16-35-25(32)13-17/h5-9,13,19-23,26,30,33H,10-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1

  • Inchikey: CMYUURXKIJZUGB-QZANRFNGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H38O8

  • Molecular weight: 514.60

  • Monoisotopic mass: 514.25666817

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