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Chaetoglobosin K

  • Formula: C34H40N2O5

  • Molecular weight: 556.70

  • Smiles: CCC1C2C(NC(=O)C23C(C=CCC(C=C(C(C(=O)C=CC3=O)O)C)C)C4C1(O4)C)C(C)C5=CNC6=CC=CC=C65

  • Type: Cytochalasan

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Chaetoglobosin K

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

Names

  • Mycotoxin name: Chaetoglobosin K

  • First synonym: None

  • Synonyms: Chaetoglobosin K,72509-61-6,BRN 4732373,(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-Ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione,10,11-Dinor(13)cytochalasa-13,17,21-triene-1,20,23-trione, 6,7-epoxy-5-ethyl-19-hydroxy-3-(1-(1H-indol-3-yl)ethyl)-16,18-dimethyl-, (3S(R),5S,7S,13E,16S,17E,19R,21E)-,CHAETOGLOBOSINK,(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-((1S)-1-(1H-indol-3-yl)ethyl)-7,9,16-trimethyl-15-oxa-20-azatetracyclo(11.8.0.01,18.014,16)henicosa-3,7,11-triene-2,5,21-trione,CHEBI:219830,DTXSID701036059,3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 15-ethyl-4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-[(1S)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-

Identifiers / External links

Structure

  • Smiles: CCC1C2C(NC(=O)C23C(C=CCC(C=C(C(C(=O)C=CC3=O)O)C)C)C4C1(O4)C)C(C)C5=CNC6=CC=CC=C65

  • Isomeric smiles: CC[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(\[C@H](C(=O)/C=C/C3=O)O)/C)C)[C@H]4[C@@]1(O4)C)[C@@H](C)C5=CNC6=CC=CC=C65

  • Inchi: InChI=1S/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1

  • Inchikey: RSYKJHLWNMXRKZ-RVUXUPINSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H40N2O5

  • Molecular weight: 556.70

  • Monoisotopic mass: 556.29372238

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Fungi

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